data_1uhf_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 1uhf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -111.5 122.15 47.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.77 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.0 117.62 21.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -128.41 148.39 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mm -107.87 134.75 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.81 113.11 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 HD22 ' CD ' ' A' ' 60' ' ' LYS . 17.2 mt -64.92 -35.75 82.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -137.06 153.47 75.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.59 3.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -106.73 117.17 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 133.15 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.49 132.28 50.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -101.08 125.59 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -155.66 163.05 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -108.98 171.03 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 129.68 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.84 -29.74 10.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.83 154.04 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -102.98 106.89 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.18 128.03 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.5 tp -97.7 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.95 142.25 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.4 p -135.85 -45.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -111.44 124.31 52.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 20.8 mttp -115.26 102.88 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.19 102.97 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -130.17 20.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -84.34 -40.84 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -87.95 129.56 35.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 9.6 m0 -111.6 164.92 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -98.65 115.9 29.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 173.33 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -150.92 152.68 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 73.4 mt -138.63 110.54 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.19 -64.97 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.5 m-20 -161.76 28.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -104.53 165.95 10.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.16 146.42 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.06 176.65 39.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.57 158.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -161.0 161.88 23.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.99 117.34 4.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.6 p -62.64 -13.47 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.59 1.66 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -120.75 29.22 7.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.9 m -146.03 143.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CD ' HD22 ' A' ' 14' ' ' LEU . 10.1 pttt -122.1 157.99 56.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.3 121.43 37.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -78.81 136.38 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.433 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 8.6 m-85 -141.39 148.97 40.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.0 mm -104.45 125.34 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.41 120.99 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.6 mt -74.32 -51.92 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -125.06 156.72 68.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 107.67 2.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 57.7 t80 -102.14 121.87 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' CE1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -78.92 132.85 36.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.39 127.22 30.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.7 p -97.34 123.68 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 35.5 p90 -146.82 174.5 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -120.34 175.27 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.78 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.27 -27.76 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.3 mp0 -55.72 162.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.13 111.93 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 27' ' ' PHE . 3.5 mt -101.97 131.32 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.47 104.33 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -79.92 136.36 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -125.73 -42.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -122.55 135.59 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 16.4 mttp -117.16 101.84 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -103.37 103.39 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.5 -124.1 33.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -88.99 -38.19 14.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -88.55 107.99 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 107.974 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 16.1 m0 -91.19 162.95 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 m -100.67 115.69 30.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.69 166.72 21.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 145.17 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' ASP . 66.7 mt -138.49 110.55 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.01 -73.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' ILE . 21.9 t0 -149.78 21.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -104.93 159.15 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.21 150.96 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.71 179.94 43.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -101.88 159.36 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 13.1 p90 -161.16 161.15 24.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.95 122.73 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 30.6 p -72.13 -5.09 32.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -97.9 4.72 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.6 m-85 -118.92 5.14 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.48 142.35 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pttt -117.25 158.92 43.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.93 5.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.1 ttpm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -108.75 121.75 45.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.57 133.87 44.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -135.99 143.69 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.3 mm -100.62 137.13 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.07 120.12 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.89 -49.47 24.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.91 155.4 77.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.9 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -110.83 116.26 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 132.73 37.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.8 117.8 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -92.02 124.4 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -149.95 163.85 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 p -106.22 177.19 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.31 126.85 31.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.44 -19.67 36.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.17 150.32 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.53 103.36 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mt -94.42 126.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.86 101.86 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -81.67 136.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 p -127.7 -43.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -113.12 119.21 37.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 40.2 mttt -115.11 102.86 10.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.13 107.73 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.03 -143.8 31.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.22 -44.1 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -87.46 132.24 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.1 m0 -113.99 163.6 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -95.21 115.96 28.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.16 167.15 20.31 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -141.76 146.79 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ASP . 97.9 mt -138.51 110.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.42 -72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.6 t0 -152.53 23.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' OG ' ' A' ' 46' ' ' SER . 10.5 mtm180 -105.04 161.74 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.74 27.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.0 179.82 48.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -101.97 158.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.22 161.75 23.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.57 -10.76 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -90.92 2.66 56.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.507 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.8 m-85 -119.43 24.38 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.2 140.76 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 4.1 ptpt -117.71 158.16 46.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.38 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.0 ttpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -112.01 124.2 51.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.01 140.73 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 59' ' ' VAL . 11.8 m-85 -141.1 147.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.53 121.16 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -67.44 105.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.79 -53.97 50.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.99 153.63 55.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.44 7.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 63.7 t80 -114.35 119.78 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 111.078 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.95 132.43 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.84 133.58 49.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -100.15 144.11 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 44.8 p90 -169.81 169.55 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -116.94 178.89 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.49 135.13 42.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.19 -21.3 44.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.69 141.74 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -96.68 110.31 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CD1' ' HB1' ' A' ' 13' ' ' ALA . 2.7 mp -101.05 133.96 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -95.81 103.37 15.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 t -84.22 132.76 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -121.78 -40.02 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.31 55.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 23.1 mttp -117.24 102.35 9.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -102.76 105.17 15.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -118.29 14.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -92.39 -39.49 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -87.64 114.38 24.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 9.8 m0 -100.9 157.1 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.978 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -92.67 115.51 28.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.19 160.18 20.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.9 141.48 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 56.8 mt -138.37 110.69 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.61 -70.4 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.1 t70 -156.27 25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -108.8 156.99 19.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.98 159.55 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.84 -175.84 37.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -101.7 154.42 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 43' ' ' TRP . 28.4 p90 -161.73 162.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 127.55 10.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 8.4 p -73.12 -43.91 61.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -61.65 -14.3 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 5.8 m-85 -91.93 7.0 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 11' ' ' TYR . 4.5 m -138.48 143.59 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 pttt -111.01 154.48 43.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' VAL . 13.9 mt-10 -120.19 120.97 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.44 140.6 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.3 m-85 -140.4 145.61 37.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -100.14 131.99 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.15 118.1 9.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD23 ' CG ' ' A' ' 60' ' ' LYS . 91.0 mt -80.01 -44.85 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -133.45 152.6 79.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 115.35 4.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -106.64 117.82 35.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.97 133.01 39.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ILE . 14.5 tp -63.04 119.28 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 p -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' A' ' 33' ' ' ILE . 6.3 p90 -153.58 167.85 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -113.8 167.09 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -64.32 128.57 36.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.52 -35.71 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.27 160.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -110.08 107.44 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' A' ' 27' ' ' PHE . 5.0 mt -100.37 136.42 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -108.41 104.88 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLU . 47.1 t -82.74 141.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -44.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.72 121.25 44.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -108.38 102.97 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -105.94 104.89 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -120.81 24.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.32 -21.13 18.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -101.51 110.62 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.058 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 7.8 m0 -100.47 161.48 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -97.39 116.03 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.75 170.26 18.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -147.2 152.87 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.6 mt -138.31 110.72 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.77 -63.9 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 t70 -163.82 30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -102.66 166.1 10.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.24 136.92 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 175.5 175.15 42.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LEU . 19.5 pt -101.9 154.9 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.797 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -155.38 162.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 18.0 p -71.29 59.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.85 -45.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -85.54 40.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.63 140.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 5.3 pttt -118.67 155.63 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.6 5.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -117.67 124.19 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.39 135.81 36.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 12.8 m-85 -140.91 146.76 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 6.2 mm -101.85 126.75 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.4 114.9 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.75 -57.86 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.93 156.97 53.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 114.45 4.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -110.55 122.09 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 136.11 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.69 119.73 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.9 p -90.22 127.46 36.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -154.28 160.24 41.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -106.32 175.52 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.26 125.25 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.97 -27.77 12.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.17 147.57 20.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.06 104.03 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -93.94 134.03 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 tp -99.11 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.6 138.4 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.7 p -129.99 -43.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 128.65 55.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 17.6 mttt -115.6 102.58 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.32 102.65 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.1 -138.59 31.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -30.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 0.813 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -97.23 112.16 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.012 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.0 m0 -96.95 163.47 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -96.73 115.71 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.63 168.34 18.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -144.4 150.36 37.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ASP . 96.8 mt -138.36 110.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 -67.83 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ILE . 24.0 m-20 -157.95 26.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -111.34 156.62 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -139.33 164.14 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.1 -177.66 33.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 pt -103.16 158.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.21 162.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.01 117.26 4.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 53.9 p -68.05 -8.63 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -92.59 -1.81 56.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 4.2 m-85 -110.69 10.57 22.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.9 148.74 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -120.97 158.51 52.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.0 ttpt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -109.15 123.11 48.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -71.23 118.96 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -126.63 142.9 51.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.3 mm -97.76 146.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -87.01 102.35 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD22 ' CD ' ' A' ' 60' ' ' LYS . 44.1 mt -57.98 -58.42 8.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.69 157.12 52.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -103.2 122.56 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.6 116.95 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.48 106.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -90.89 123.45 34.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 30.4 p90 -146.49 178.55 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -122.98 173.71 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -66.49 131.25 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.27 -34.18 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.9 146.8 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -96.46 114.75 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 13' ' ' ALA . 4.5 mt -103.82 124.41 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -97.73 102.62 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' ' HE3' ' A' ' 38' ' ' LYS . 93.3 t -80.09 142.8 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -133.1 -44.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 129.88 56.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 37.5 mttp -117.2 102.45 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' TRP . 8.7 t0 -110.53 102.75 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.18 -135.57 24.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.87 -40.69 31.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' ASP . 23.5 m95 -86.84 132.36 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -116.9 148.66 41.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.6 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.47 165.55 18.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.98 143.13 49.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' PHE . 46.3 mt -139.29 110.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 49' ' ' ASP . . . 61.44 31.57 77.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 t70 85.34 23.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 47' ' ' ILE . 7.4 mtm180 -96.42 173.27 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.46 144.95 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 171.88 36.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 pt -101.93 155.06 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' HG13 ' A' ' 59' ' ' VAL . 25.9 p90 -161.32 162.61 21.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.3 p -65.93 -10.26 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -89.52 3.75 51.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.1 m-85 -122.81 30.12 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 54' ' ' PHE . 18.5 m -146.28 140.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 1.3 pttt -117.27 153.74 50.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.8 ttpt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.22 122.2 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.1 129.13 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -133.47 149.76 51.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -102.79 131.51 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 27' ' ' PHE . . . -66.47 112.82 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.8 mt -72.65 -49.16 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.401 ' CD1' ' HD1' ' A' ' 58' ' ' TYR . 45.0 m-85 -129.81 152.94 80.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -108.83 116.62 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.4 134.6 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 129.89 41.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.5 p -110.61 130.01 55.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 28.5 p90 -153.84 172.01 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -116.73 165.47 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 124.45 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.09 -32.13 6.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.23 159.25 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.23 103.71 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 27' ' ' PHE . 3.5 mt -95.18 128.29 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.67 102.21 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.93 132.66 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -119.7 -40.85 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 121.77 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -103.75 103.01 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.14 103.46 15.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.9 -109.64 0.9 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' O ' ' OG ' ' A' ' 56' ' ' SER . 1.9 mm-40 -96.16 -35.73 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -86.95 108.05 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 28.9 m0 -94.74 154.48 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.97 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.19 115.62 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.89 169.73 22.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -149.83 145.99 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.9 mt -138.5 110.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.05 -77.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.7 t0 -143.16 19.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' OG ' ' A' ' 46' ' ' SER . 4.6 mtm180 -96.89 155.79 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 139.31 24.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.64 176.83 44.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 pt -101.81 154.81 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -154.06 162.56 26.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.82 5.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 56.8 p -72.99 58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -141.36 -45.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.401 ' HD1' ' CD1' ' A' ' 15' ' ' TYR . 22.3 m-85 -85.84 40.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -146.35 140.51 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.466 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 5.6 pttt -120.8 155.9 56.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -113.1 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.61 120.59 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 9.4 m-85 -130.21 148.71 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -105.33 137.06 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 123.71 24.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 60' ' ' LYS . 18.1 mt -74.73 -48.42 25.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -129.42 158.39 73.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 66.2 t80 -109.37 116.37 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.49 132.34 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 p -90.09 124.27 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 20.4 p90 -147.77 175.48 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.28 171.33 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 125.56 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.87 -21.25 30.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 157.6 12.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.734 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.22 105.75 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.06 125.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.87 107.0 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.4 t -87.65 122.8 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -114.41 -20.42 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -137.04 125.97 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 35.1 mttp -117.19 102.4 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.96 105.66 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.04 -139.72 28.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 56' ' ' SER . 5.9 mm-40 -77.38 -44.38 29.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -86.8 128.48 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 14.7 m0 -110.23 163.38 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -95.48 115.8 27.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.72 172.67 19.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -148.68 156.55 42.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 51.7 mt -138.73 110.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.28 -65.73 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 29.2 m-20 -161.82 28.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -105.56 169.3 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.16 145.54 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.89 175.18 39.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -102.16 158.18 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -161.13 162.22 22.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 41' ' ' GLU . 54.0 p -64.88 -11.28 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -87.01 3.43 45.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.4 m-85 -123.14 29.24 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -146.24 143.71 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HE2' ' CD2' ' A' ' 14' ' ' LEU . 1.8 ptpt -122.69 158.44 56.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.74 5.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.8 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -108.83 122.59 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 2.1 mp0 -76.87 117.18 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.9 144.4 49.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 5.4 mm -102.75 141.41 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 110.25 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 HD22 ' CD ' ' A' ' 60' ' ' LYS . 39.0 mt -63.83 -44.44 93.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.86 154.38 81.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 113.18 3.73 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.519 1.8 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -108.47 116.76 32.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.75 133.35 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.21 116.24 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -92.78 124.85 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -150.8 173.26 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -111.89 -177.95 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.62 126.97 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.56 -21.32 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.44 159.07 6.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -107.61 101.85 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.69 123.8 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 25.5 tp -95.2 102.49 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.4 t -81.38 133.7 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -122.89 -40.03 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 124.06 46.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 54.3 mttt -117.16 102.79 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -110.79 104.02 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.76 25.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.53 -41.71 26.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' ASP . 20.2 m95 -86.93 127.38 35.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.3 m0 -113.97 161.84 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.01 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -95.17 115.59 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.86 169.51 16.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -144.33 153.7 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 68.4 mt -138.39 110.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.46 -65.41 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 9.3 m-20 -162.87 29.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -107.24 167.12 10.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.12 143.34 28.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.89 179.34 45.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.6 pt -103.39 156.47 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 59' ' ' VAL . 24.4 p90 -161.29 162.56 21.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.2 p -60.7 -15.96 34.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -83.42 -1.13 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.8 m-85 -118.36 31.89 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -145.7 140.74 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -116.66 154.04 49.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.01 5.48 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -115.08 121.23 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -74.45 136.34 42.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 6.7 m-85 -139.94 152.94 46.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -109.08 134.68 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.82 7.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' TYR . 83.0 mt -66.41 -46.46 76.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.23 155.33 81.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -99.56 115.98 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.85 126.92 31.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 tp -71.37 113.83 8.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -90.41 135.31 33.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CG ' HD13 ' A' ' 33' ' ' ILE . 13.4 p90 -154.12 -174.12 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -133.14 156.63 47.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.66 129.65 33.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.14 -26.7 21.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.61 151.78 28.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.76 103.55 14.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD13 ' CG ' ' A' ' 27' ' ' PHE . 8.0 mt -93.94 123.93 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.14 107.36 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' CE2' ' A' ' 54' ' ' PHE . 21.7 t -83.89 143.13 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -133.12 -44.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.46 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 27.1 mttp -107.67 102.82 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.43 103.56 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.23 -121.17 25.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -93.1 -23.05 18.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -98.98 107.97 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.7 m0 -95.63 164.68 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -102.04 115.81 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.65 169.05 15.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -145.78 154.17 41.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.804 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' ASP . 53.8 mt -138.49 110.83 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 -71.06 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.4 m-20 -153.21 25.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -102.62 166.86 10.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.12 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.95 178.7 40.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 pt -104.42 157.87 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CE2' HG23 ' A' ' 35' ' ' VAL . 18.9 p90 -153.85 161.23 29.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.72 8.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 97.3 p -72.6 58.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -152.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.0 m-85 -75.51 3.64 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.25 140.7 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.7 pttt -119.39 158.6 48.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.82 5.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.7 ttpt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.3 123.03 47.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -81.21 119.85 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.35 149.16 50.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -105.72 139.45 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 116.82 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.56 -40.89 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.09 154.26 77.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.758 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -104.66 121.07 42.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.28 118.17 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.74 104.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.7 p -84.11 127.99 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CG ' HD11 ' A' ' 33' ' ' ILE . 34.4 p90 -153.65 172.4 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -118.0 168.22 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 126.14 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 -28.39 9.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.15 151.71 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.93 107.96 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.509 HD11 ' CG ' ' A' ' 27' ' ' PHE . 11.5 mt -99.26 129.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -100.52 101.83 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.88 140.7 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -133.18 -44.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -111.02 122.56 48.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -114.19 102.96 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.02 102.86 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.64 -135.52 23.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.57 -40.07 30.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.483 ' CE3' HD12 ' A' ' 53' ' ' ILE . 27.4 m95 -87.21 132.45 33.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -115.98 156.29 26.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -89.82 115.61 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.43 168.53 17.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t -143.71 151.31 39.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' ASP . 93.1 mt -138.66 110.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.88 -70.82 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.8 m-20 -155.21 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' OG ' ' A' ' 46' ' ' SER . 6.0 mtt180 -110.13 145.97 36.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 138.41 51.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.56 179.54 46.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.483 HD12 ' CE3' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -101.8 157.33 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 0.719 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 59' ' ' VAL . 24.8 p90 -161.19 162.2 22.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.56 -14.77 61.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -85.37 -0.58 55.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.477 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.3 m-85 -118.25 30.17 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 54' ' ' PHE . 17.2 m -145.8 141.37 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.5 pttt -118.92 154.13 52.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.78 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.6 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.25 120.78 43.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.59 119.9 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -126.55 144.45 50.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.5 mm -101.23 137.38 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.79 107.48 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 70.8 mt -61.71 -52.28 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 3.1 m-85 -129.2 157.49 75.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 55' ' ' PRO . 65.5 t80 -112.24 116.19 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 141.1 37.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 tp -77.78 110.02 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -86.47 127.67 34.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -149.55 160.36 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -108.22 171.33 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -66.01 128.92 37.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.61 -28.22 14.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.0 154.0 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 104.53 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 5.8 mt -93.94 122.97 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.64 106.02 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' CG1' ' HE3' ' A' ' 38' ' ' LYS . 32.0 t -79.94 141.5 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.34 -44.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 130.59 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttp -113.3 102.28 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -101.49 102.86 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.4 -121.31 25.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 56' ' ' SER . 6.2 mm-40 -90.92 -27.23 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -95.72 109.05 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 15.1 m0 -94.26 165.23 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -104.32 115.46 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -102.99 169.95 19.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 3.1 t -145.0 149.93 36.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ASP . 61.7 mt -138.56 110.51 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.5 -76.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.4 m-20 -145.82 20.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' OG ' ' A' ' 46' ' ' SER . 7.9 mtm180 -104.38 144.89 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.7 44.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.96 -179.41 48.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.7 pt -101.79 159.94 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -160.57 162.87 22.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 41' ' ' GLU . 36.6 p -70.3 58.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -145.65 -42.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.62 36.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.69 140.76 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.3 pttt -120.78 154.5 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.6 ttpt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -118.39 124.01 46.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -74.63 136.72 41.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -141.12 147.4 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.2 mm -103.57 131.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 117.12 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.9 mt -75.69 -51.43 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 4.4 m-85 -125.41 154.27 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 81.9 t80 -101.49 115.83 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.78 136.39 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.35 108.99 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -78.89 136.11 37.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 12.7 p90 -158.06 176.57 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.43 170.35 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.84 124.54 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.07 -31.91 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -53.15 157.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -108.88 105.51 15.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 7.6 mt -93.87 127.7 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.95 107.0 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG23 ' CE2' ' A' ' 54' ' ' PHE . 5.7 t -86.03 125.09 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 p -113.74 -23.07 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -136.87 130.89 32.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -115.05 102.34 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -100.43 103.88 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.66 -117.32 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.05 -30.23 15.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -92.85 108.92 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 13.0 m0 -94.6 164.52 12.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -106.0 115.49 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -101.91 171.02 21.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 2.9 t -144.82 149.52 35.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 95.9 mt -138.63 110.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.85 -75.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -147.65 21.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' OG ' ' A' ' 46' ' ' SER . 6.6 mtm180 -103.27 151.99 22.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.06 136.94 38.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.24 177.38 48.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 pt -102.53 157.18 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CE2' HG23 ' A' ' 35' ' ' VAL . 21.3 p90 -153.31 161.26 29.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.58 8.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 77.2 p -73.48 58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -150.85 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 5.1 m-85 -72.47 -0.66 13.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.17 140.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.5 pttt -118.21 160.21 40.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.34 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.468 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 9.0 ttpt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -118.01 121.57 40.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.46 120.51 23.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.5 m-85 -129.31 146.08 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.27 136.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.9 105.22 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.99 -45.6 90.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.97 154.68 81.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.31 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -107.68 118.03 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 53' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -129.17 116.54 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.38 102.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -80.17 127.48 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CG ' HD12 ' A' ' 33' ' ' ILE . 18.7 p90 -151.92 167.69 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -112.22 174.73 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.29 130.7 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.05 -30.09 10.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 1.4 mp0 -55.05 142.91 28.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.15 122.07 33.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.509 HD12 ' CG ' ' A' ' 27' ' ' PHE . 8.8 mt -111.58 132.93 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -100.69 101.9 12.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 58.0 t -83.18 138.71 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -130.46 -43.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.8 127.78 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 19.5 mttp -116.39 102.55 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.82 103.92 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.51 -122.05 26.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.7 -42.3 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -86.71 117.0 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 12.6 m0 -101.31 162.14 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 m -97.88 115.77 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.94 172.81 28.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.43 144.4 27.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.0 mt -138.38 110.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.41 -73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -150.5 23.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -107.08 151.73 24.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.91 142.73 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.31 -176.47 47.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 23' ' ' GLY . 1.1 pp -101.78 158.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 35' ' ' VAL . 13.0 p90 -161.42 161.64 22.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -68.76 -7.79 37.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -94.93 4.81 53.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.79 16.47 11.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.97 149.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 2.6 pttt -126.91 158.33 68.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -120.33 121.63 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.83 139.55 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 9.7 m-85 -140.99 147.0 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -102.99 118.85 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 116.47 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.81 -56.44 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -118.56 155.53 52.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 84.7 t80 -102.76 115.9 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 130.97 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -67.21 125.46 26.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -93.06 125.98 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 30.4 p90 -152.06 178.73 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -121.32 -169.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 134.58 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.3 -28.63 11.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.63 149.01 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.13 104.81 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.3 mt -94.78 132.58 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.68 102.03 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 19.1 t -85.1 130.79 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.0 p -119.19 -38.29 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.5 130.88 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -116.4 102.35 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -101.85 103.83 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 -119.22 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.64 -36.08 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.33 111.2 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 12.8 m0 -95.9 161.29 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 m -99.54 115.76 30.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.352 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.49 168.92 23.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 143.89 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.2 mt -138.38 110.56 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.85 -69.07 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' ILE . 60.6 t0 -157.65 27.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -110.24 157.98 18.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.57 155.74 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.26 -174.66 41.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -101.87 158.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CZ ' HG23 ' A' ' 35' ' ' VAL . 18.1 p90 -161.24 162.22 22.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.65 5.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 11.7 p -74.15 -2.96 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.0 p-10 -98.45 -1.55 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -111.44 3.82 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.55 143.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.401 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.8 pttt -113.16 155.87 43.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 38' ' ' LYS . 7.9 mt-10 -111.01 121.07 44.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -77.47 127.81 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 7.8 m-85 -136.07 153.06 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -110.86 130.12 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 111.7 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.95 -44.16 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -131.34 156.39 80.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 73.5 t80 -105.16 116.2 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.24 128.62 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.79 109.22 8.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -82.52 132.73 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 32.4 p90 -156.3 178.15 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -124.6 169.35 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 125.15 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.82 -27.38 11.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -56.67 152.68 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.62 101.5 11.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.07 131.33 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.56 106.35 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -81.15 142.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 p -135.04 -45.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.38 125.08 53.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.452 ' NZ ' ' OE2' ' A' ' 9' ' ' GLU . 36.7 mttp -115.39 102.73 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 102.9 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 -139.24 26.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.96 -41.82 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.64 130.07 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.2 m0 -111.53 161.88 15.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -92.21 115.84 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.84 166.41 14.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -138.34 153.55 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . 80.1 mt -138.7 110.11 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 -65.12 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -161.38 28.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -110.82 167.46 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -144.78 164.22 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -174.24 34.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -107.67 159.21 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -161.35 162.04 22.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 119.83 5.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.9 p -68.43 -8.06 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.91 3.51 55.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.9 m-85 -119.98 17.82 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.74 141.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -116.73 155.28 49.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.3 ttpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -114.59 123.6 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.27 137.26 38.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 8.1 m-85 -141.24 148.63 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mm -103.6 123.98 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.47 117.86 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD23 ' CD ' ' A' ' 60' ' ' LYS . 46.6 mt -73.91 -47.8 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -127.98 155.65 77.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 80.7 t80 -108.4 119.19 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.69 122.19 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 146.31 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -114.75 125.61 53.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 33' ' ' ILE . 43.3 p90 -154.23 172.06 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -118.07 178.09 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.29 132.39 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.99 -24.83 30.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.14 162.16 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.24 105.86 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.4 mt -94.62 130.68 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 tp -96.7 101.96 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 21.7 t -80.1 130.53 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.6 p -116.4 -33.14 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -132.48 137.02 47.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 18.1 mttp -115.47 101.88 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -100.17 102.9 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.52 -119.69 16.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -89.0 -38.32 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -87.06 109.87 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 22.6 m0 -93.62 154.65 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.036 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -93.25 115.79 28.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.06 164.09 15.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t -140.09 146.04 38.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.077 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ASP . 70.4 mt -138.79 110.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.55 -74.82 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.2 t70 -147.61 22.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -106.42 147.85 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.85 142.95 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.38 -171.42 44.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.5 pt -104.49 161.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 43' ' ' TRP . 10.6 p90 -161.1 161.2 24.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.03 120.06 5.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -70.08 -6.78 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 10.9 t30 -95.95 3.72 53.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.1 m-85 -117.67 1.63 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.61 141.3 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.5 pttt -116.87 159.22 41.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.68 5.35 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -109.33 121.13 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.42 132.86 41.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.9 m-85 -138.54 146.9 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.1 mm -102.19 148.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.96 111.19 21.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD22 ' CD ' ' A' ' 60' ' ' LYS . 23.9 mt -68.12 -43.84 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.98 152.8 81.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.54 3.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -106.58 115.99 31.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.47 130.28 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.53 122.21 23.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.6 p -92.53 125.45 37.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CG ' HD12 ' A' ' 33' ' ' ILE . 37.2 p90 -150.53 165.4 33.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -113.26 174.52 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -70.77 130.11 40.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.87 -28.08 16.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.03 160.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.93 103.17 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 27' ' ' PHE . 10.3 mt -94.65 123.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.2 tp -93.88 102.82 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.26 139.51 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.9 p -130.56 -43.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -113.73 126.11 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 28.1 mttp -115.61 102.71 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.28 103.02 11.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.09 -135.04 22.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.94 -43.59 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -87.54 130.02 34.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 8.5 m0 -111.27 164.68 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -96.47 115.65 27.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.07 172.34 29.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.42 145.32 29.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 86.8 mt -138.34 110.67 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.1 -71.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.3 m-20 -154.21 24.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -109.74 155.16 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 164.26 30.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 159.96 -172.39 36.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.84 157.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -161.21 162.15 22.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -64.0 -12.21 36.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -88.66 1.91 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.49 28.6 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -146.26 140.87 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -118.05 153.61 51.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.1 5.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -120.24 121.39 38.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.764 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.19 124.11 27.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.0 m-85 -128.11 145.17 51.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.39 133.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.76 106.91 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' TYR . 42.2 mt -59.81 -41.22 90.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -132.52 154.75 81.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.29 2.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -98.51 116.04 29.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.992 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.81 135.8 38.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 14.7 tp -79.05 117.66 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.4 p -92.45 129.88 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.3 p90 -153.03 164.86 37.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 p -108.32 172.36 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 126.01 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.31 -24.22 18.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.05 155.86 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.63 103.04 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.52 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.9 mt -93.9 121.56 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -93.19 102.24 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.97 143.11 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.1 p -133.7 -44.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 126.65 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttt -111.33 102.68 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.0 104.55 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.81 -111.71 2.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.23 -34.62 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -88.77 110.52 21.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 107.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.6 m0 -96.34 164.55 12.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -104.6 115.84 31.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -103.67 164.12 15.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -138.55 148.89 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' ASP . 84.3 mt -138.45 110.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.4 -77.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -146.26 21.83 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -100.44 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.06 137.44 23.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 179.92 179.86 48.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 pt -104.78 159.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.25 161.31 29.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 87.2 p -72.56 58.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -152.55 -43.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.6 m-85 -76.55 5.55 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 m -123.11 140.47 46.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -118.96 158.82 46.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.62 5.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t 61.7 166.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.33 101.33 2.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.87 128.09 9.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.81 130.5 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 169.37 20.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.96 138.23 2.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.6 -170.43 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -111.5 122.15 47.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.77 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.0 117.62 21.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.414 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -128.41 148.39 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mm -107.87 134.75 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.81 113.11 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 HD22 ' CD ' ' A' ' 60' ' ' LYS . 17.2 mt -64.92 -35.75 82.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -137.06 153.47 75.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.59 3.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -106.73 117.17 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -113.91 113.83 25.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.02 131.08 51.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.53 -20.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -90.82 140.13 26.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.41 8.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.61 -50.25 5.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 133.15 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.49 132.28 50.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -101.08 125.59 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -155.66 163.05 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -108.98 171.03 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 129.68 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.84 -29.74 10.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.83 154.04 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -102.98 106.89 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.18 128.03 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.5 tp -97.7 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.95 142.25 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.4 p -135.85 -45.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -111.44 124.31 52.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 20.8 mttp -115.26 102.88 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.19 102.97 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -130.17 20.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -84.34 -40.84 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -87.95 129.56 35.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 9.6 m0 -111.6 164.92 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -98.65 115.9 29.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 173.33 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -150.92 152.68 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 73.4 mt -138.63 110.54 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.19 -64.97 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.5 m-20 -161.76 28.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -104.53 165.95 10.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.16 146.42 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.06 176.65 39.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.57 158.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -161.0 161.88 23.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.99 117.34 4.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.6 p -62.64 -13.47 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.59 1.66 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -120.75 29.22 7.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.9 m -146.03 143.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CD ' HD22 ' A' ' 14' ' ' LEU . 10.1 pttt -122.1 157.99 56.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -95.39 120.65 36.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -127.52 132.38 49.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.6 157.15 15.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 67.68 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.2 p -45.62 130.02 8.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.14 93.12 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.3 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -137.58 130.63 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.49 -100.93 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 47.83 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -125.43 101.92 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.85 -119.39 4.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.28 159.3 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.3 121.43 37.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -78.81 136.38 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.433 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 8.6 m-85 -141.39 148.97 40.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.0 mm -104.45 125.34 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.41 120.99 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.6 mt -74.32 -51.92 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -125.06 156.72 68.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 107.67 2.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 57.7 t80 -102.14 121.87 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -116.83 141.71 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -134.72 129.18 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.2 -32.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.6 141.09 48.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 -52.02 6.64 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' CE1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -78.92 132.85 36.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.39 127.22 30.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.7 p -97.34 123.68 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 35.5 p90 -146.82 174.5 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 p -120.34 175.27 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.78 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.27 -27.76 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.3 mp0 -55.72 162.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.13 111.93 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.524 HD13 ' CG ' ' A' ' 27' ' ' PHE . 3.5 mt -101.97 131.32 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.47 104.33 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -79.92 136.36 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -125.73 -42.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -122.55 135.59 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 16.4 mttp -117.16 101.84 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -103.37 103.39 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.5 -124.1 33.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -88.99 -38.19 14.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -88.55 107.99 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 107.974 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 16.1 m0 -91.19 162.95 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 m -100.67 115.69 30.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.69 166.72 21.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 145.17 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' ASP . 66.7 mt -138.49 110.55 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.01 -73.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' ILE . 21.9 t0 -149.78 21.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -104.93 159.15 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.21 150.96 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.71 179.94 43.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -101.88 159.36 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 13.1 p90 -161.16 161.15 24.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.95 122.73 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 30.6 p -72.13 -5.09 32.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -97.9 4.72 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.6 m-85 -118.92 5.14 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.48 142.35 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.6 pttt -117.25 158.92 43.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.93 5.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.1 ttpm? -54.85 98.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.27 163.07 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t 72.31 -65.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.049 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.79 77.88 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -50.16 143.88 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.95 79.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.96 95.13 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.22 125.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.71 -147.64 11.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -142.23 152.6 43.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -165.04 110.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.55 54.53 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.22 143.63 14.9 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -108.75 121.75 45.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.57 133.87 44.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.409 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -135.99 143.69 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.3 mm -100.62 137.13 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.07 120.12 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.89 -49.47 24.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.91 155.4 77.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.9 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -110.83 116.26 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -111.77 130.37 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.89 137.49 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.3 m -78.91 -4.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.14 142.01 24.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.77 -45.44 6.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 132.73 37.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.8 117.8 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -92.02 124.4 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -149.95 163.85 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 p -106.22 177.19 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.31 126.85 31.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.44 -19.67 36.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.17 150.32 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.53 103.36 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 mt -94.42 126.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.86 101.86 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -81.67 136.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 p -127.7 -43.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -113.12 119.21 37.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 40.2 mttt -115.11 102.86 10.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.13 107.73 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.03 -143.8 31.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.22 -44.1 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -87.46 132.24 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.1 m0 -113.99 163.6 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -95.21 115.96 28.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.16 167.15 20.31 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -141.76 146.79 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ASP . 97.9 mt -138.51 110.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.42 -72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.6 t0 -152.53 23.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' OG ' ' A' ' 46' ' ' SER . 10.5 mtm180 -105.04 161.74 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.74 27.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.0 179.82 48.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -101.97 158.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.22 161.75 23.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.57 -10.76 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -90.92 2.66 56.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.507 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.8 m-85 -119.43 24.38 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.6 m -146.2 140.76 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 4.1 ptpt -117.71 158.16 46.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.38 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.0 ttpm? -53.45 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t0 58.54 102.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 t -74.92 119.55 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.02 157.22 8.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 96.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m 51.63 82.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -154.14 162.8 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 123.56 33.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.92 -131.1 3.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -148.28 108.59 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -146.13 81.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.86 93.15 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.61 170.34 23.18 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -112.01 124.2 51.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.01 140.73 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' CD1' HG21 ' A' ' 59' ' ' VAL . 11.8 m-85 -141.1 147.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mm -101.53 121.16 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -67.44 105.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.79 -53.97 50.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.99 153.63 55.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.44 7.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 63.7 t80 -114.35 119.78 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 111.078 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -122.53 126.17 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.23 146.01 43.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 m -83.92 -15.28 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.03 139.83 22.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.3 9.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.68 -45.36 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.95 132.43 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.84 133.58 49.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -100.15 144.11 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 44.8 p90 -169.81 169.55 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -116.94 178.89 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.49 135.13 42.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.19 -21.3 44.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.69 141.74 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -96.68 110.31 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CD1' ' HB1' ' A' ' 13' ' ' ALA . 2.7 mp -101.05 133.96 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -95.81 103.37 15.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 t -84.22 132.76 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -121.78 -40.02 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.31 55.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 23.1 mttp -117.24 102.35 9.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -102.76 105.17 15.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -118.29 14.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -92.39 -39.49 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -87.64 114.38 24.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 9.8 m0 -100.9 157.1 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.978 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -92.67 115.51 28.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.19 160.18 20.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.9 141.48 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . 56.8 mt -138.37 110.69 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.61 -70.4 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.1 t70 -156.27 25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -108.8 156.99 19.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.98 159.55 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.84 -175.84 37.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -101.7 154.42 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 43' ' ' TRP . 28.4 p90 -161.73 162.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 127.55 10.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 8.4 p -73.12 -43.91 61.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -61.65 -14.3 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.519 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 5.8 m-85 -91.93 7.0 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 11' ' ' TYR . 4.5 m -138.48 143.59 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 pttt -111.01 154.48 43.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.9 97.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -80.96 154.01 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.78 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.063 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.89 97.25 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 118.9 5.42 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -37.35 17.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 t 60.09 68.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.946 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -58.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 54.92 82.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.44 -173.05 15.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.17 168.86 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -97.35 125.47 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.52 76.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.69 156.02 26.55 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' VAL . 13.9 mt-10 -120.19 120.97 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -72.44 140.6 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.3 m-85 -140.4 145.61 37.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -100.14 131.99 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.15 118.1 9.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD23 ' CG ' ' A' ' 60' ' ' LYS . 91.0 mt -80.01 -44.85 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -133.45 152.6 79.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 115.35 4.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 23.5 t80 -106.64 117.82 35.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 81.0 p -100.88 132.2 46.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.38 -23.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -97.8 139.13 21.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.14 -43.15 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.97 133.01 39.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 53' ' ' ILE . 14.5 tp -63.04 119.28 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.497 ' CG2' ' OG ' ' A' ' 19' ' ' SER . 3.6 p -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CD2' HD12 ' A' ' 33' ' ' ILE . 6.3 p90 -153.58 167.85 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -113.8 167.09 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -64.32 128.57 36.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.52 -35.71 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.27 160.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -110.08 107.44 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' CD2' ' A' ' 27' ' ' PHE . 5.0 mt -100.37 136.42 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -108.41 104.88 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLU . 47.1 t -82.74 141.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -44.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.72 121.25 44.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -108.38 102.97 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -105.94 104.89 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -120.81 24.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.32 -21.13 18.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -101.51 110.62 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.058 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 7.8 m0 -100.47 161.48 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -97.39 116.03 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.75 170.26 18.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -147.2 152.87 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.6 mt -138.31 110.72 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.77 -63.9 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 t70 -163.82 30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -102.66 166.1 10.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.24 136.92 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 175.5 175.15 42.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LEU . 19.5 pt -101.9 154.9 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.797 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -155.38 162.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.561 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 18.0 p -71.29 59.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.85 -45.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -85.54 40.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.63 140.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 5.3 pttt -118.67 155.63 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.6 5.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 69.44 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -175.92 117.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.57 119.74 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.87 37.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.09 -58.21 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.11 148.98 42.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.24 166.28 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -114.54 155.9 25.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.9 138.49 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -168.51 90.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.13 124.66 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.13 -84.57 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.05 143.32 25.11 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -117.67 124.19 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.39 135.81 36.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 12.8 m-85 -140.91 146.76 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 6.2 mm -101.85 126.75 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.4 114.9 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.75 -57.86 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.93 156.97 53.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 114.45 4.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -110.55 122.09 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p -121.16 128.08 52.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t -115.18 150.72 35.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.63 5.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -115.83 141.35 27.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.68 -43.82 7.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 136.11 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.69 119.73 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.9 p -90.22 127.46 36.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -154.28 160.24 41.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -106.32 175.52 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.26 125.25 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.97 -27.77 12.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.17 147.57 20.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.06 104.03 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -93.94 134.03 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 tp -99.11 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.6 138.4 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.7 p -129.99 -43.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 128.65 55.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 17.6 mttt -115.6 102.58 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.32 102.65 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.1 -138.59 31.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -30.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 0.813 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -97.23 112.16 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.012 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.0 m0 -96.95 163.47 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -96.73 115.71 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.63 168.34 18.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -144.4 150.36 37.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.97 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' ASP . 96.8 mt -138.36 110.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 -67.83 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ILE . 24.0 m-20 -157.95 26.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -111.34 156.62 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -139.33 164.14 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.1 -177.66 33.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 pt -103.16 158.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.21 162.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.01 117.26 4.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.405 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 53.9 p -68.05 -8.63 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -92.59 -1.81 56.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 4.2 m-85 -110.69 10.57 22.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.9 148.74 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.413 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -120.97 158.51 52.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.0 ttpt -50.09 96.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 117.13 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t -146.79 101.88 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.82 -122.72 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.67 9.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.37 84.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -130.92 -58.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 110.946 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -128.5 133.58 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.19 121.08 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.48 -169.86 42.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.71 139.82 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.69 102.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.95 -108.25 0.72 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.82 148.62 20.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -109.15 123.11 48.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -71.23 118.96 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -126.63 142.9 51.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.3 mm -97.76 146.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.498 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -87.01 102.35 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD22 ' CD ' ' A' ' 60' ' ' LYS . 44.1 mt -57.98 -58.42 8.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.69 157.12 52.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -103.2 122.56 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -123.21 116.43 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.43 178.52 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 m -111.05 -17.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -92.55 138.59 23.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.46 8.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.6 13.5 58.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.6 116.95 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.7 tp -53.48 106.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.3 p -90.89 123.45 34.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 30.4 p90 -146.49 178.55 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.2 p -122.98 173.71 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -66.49 131.25 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.27 -34.18 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.9 146.8 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -96.46 114.75 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 13' ' ' ALA . 4.5 mt -103.82 124.41 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.2 tp -97.73 102.62 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' ' HE3' ' A' ' 38' ' ' LYS . 93.3 t -80.09 142.8 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -133.1 -44.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 129.88 56.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HE3' ' CG1' ' A' ' 35' ' ' VAL . 37.5 mttp -117.2 102.45 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' TRP . 8.7 t0 -110.53 102.75 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.18 -135.57 24.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.87 -40.69 31.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' ASP . 23.5 m95 -86.84 132.36 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -116.9 148.66 41.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.6 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.47 165.55 18.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.98 143.13 49.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' PHE . 46.3 mt -139.29 110.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 49' ' ' ASP . . . 61.44 31.57 77.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 t70 85.34 23.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 47' ' ' ILE . 7.4 mtm180 -96.42 173.27 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.46 144.95 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 171.88 36.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 pt -101.93 155.06 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' HG13 ' A' ' 59' ' ' VAL . 25.9 p90 -161.32 162.61 21.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.3 p -65.93 -10.26 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -89.52 3.75 51.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.1 m-85 -122.81 30.12 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 54' ' ' PHE . 18.5 m -146.28 140.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 1.3 pttt -117.27 153.74 50.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.8 ttpt -51.9 97.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -104.58 125.52 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 t -91.02 123.28 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.95 148.47 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 73.61 4.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.2 p -125.66 122.7 37.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.5 m -61.16 -57.54 12.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.983 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.68 -59.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -132.12 138.12 47.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -127.74 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p 43.99 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.36 -55.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.16 -76.58 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.21 147.21 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.22 122.2 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.1 129.13 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -133.47 149.76 51.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -102.79 131.51 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 27' ' ' PHE . . . -66.47 112.82 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.8 mt -72.65 -49.16 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.401 ' CD1' ' HD1' ' A' ' 58' ' ' TYR . 45.0 m-85 -129.81 152.94 80.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -108.83 116.62 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -108.16 136.36 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -125.36 152.44 44.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.78 -15.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.18 138.18 19.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.39 -45.45 7.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.4 134.6 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 129.89 41.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.5 p -110.61 130.01 55.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 28.5 p90 -153.84 172.01 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -116.73 165.47 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 124.45 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.09 -32.13 6.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.23 159.25 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.23 103.71 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.52 HD13 ' CD1' ' A' ' 27' ' ' PHE . 3.5 mt -95.18 128.29 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.1 tp -103.67 102.21 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.93 132.66 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -119.7 -40.85 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 121.77 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -103.75 103.01 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.14 103.46 15.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.9 -109.64 0.9 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' O ' ' OG ' ' A' ' 56' ' ' SER . 1.9 mm-40 -96.16 -35.73 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -86.95 108.05 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 28.9 m0 -94.74 154.48 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.97 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.19 115.62 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.89 169.73 22.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -149.83 145.99 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.9 mt -138.5 110.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.05 -77.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.7 t0 -143.16 19.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' OG ' ' A' ' 46' ' ' SER . 4.6 mtm180 -96.89 155.79 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 139.31 24.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.64 176.83 44.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 pt -101.81 154.81 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -154.06 162.56 26.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.82 5.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 56.8 p -72.99 58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -141.36 -45.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.401 ' HD1' ' CD1' ' A' ' 15' ' ' TYR . 22.3 m-85 -85.84 40.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.2 m -146.35 140.51 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 5.6 pttt -120.8 155.9 56.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.69 97.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.17 -51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -54.9 -57.21 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.41 115.65 7.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.13 5.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -139.44 108.64 6.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t 54.88 100.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.137 . . . . 0.0 110.997 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -123.93 123.07 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.27 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.25 -179.74 42.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -111.18 -60.54 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -170.68 132.97 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 -123.08 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.08 153.78 21.08 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -113.1 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.61 120.59 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 9.4 m-85 -130.21 148.71 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -105.33 137.06 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 123.71 24.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 60' ' ' LYS . 18.1 mt -74.73 -48.42 25.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -129.42 158.39 73.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.508 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 66.2 t80 -109.37 116.37 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -122.15 149.03 44.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.439 ' O ' ' CG2' ' A' ' 26' ' ' THR . 0.2 OUTLIER -172.16 123.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -79.2 58.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -115.63 129.61 25.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 51.0 2.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.87 -38.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.49 132.34 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 19' ' ' SER . 37.4 p -90.09 124.27 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 20.4 p90 -147.77 175.48 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.28 171.33 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 125.56 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.87 -21.25 30.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 157.6 12.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.734 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.22 105.75 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.06 125.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.87 107.0 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.4 t -87.65 122.8 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -114.41 -20.42 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -137.04 125.97 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 35.1 mttp -117.19 102.4 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.96 105.66 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.04 -139.72 28.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' O ' ' OG ' ' A' ' 56' ' ' SER . 5.9 mm-40 -77.38 -44.38 29.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -86.8 128.48 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 14.7 m0 -110.23 163.38 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -95.48 115.8 27.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.72 172.67 19.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -148.68 156.55 42.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 51.7 mt -138.73 110.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.28 -65.73 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 29.2 m-20 -161.82 28.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -105.56 169.3 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.16 145.54 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.89 175.18 39.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -102.16 158.18 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -161.13 162.22 22.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 41' ' ' GLU . 54.0 p -64.88 -11.28 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -87.01 3.43 45.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.4 m-85 -123.14 29.24 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.8 m -146.24 143.71 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HE2' ' CD2' ' A' ' 14' ' ' LEU . 1.8 ptpt -122.69 158.44 56.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.74 5.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.8 ttpt -53.25 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.53 156.09 49.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.7 m -158.18 152.72 24.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.12 -142.23 11.59 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.97 104.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -87.45 108.85 19.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.36 129.46 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -96.12 121.13 37.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 158.62 12.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -68.2 160.77 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.761 . . . . 0.0 110.0 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -151.92 112.65 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.87 71.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.58 148.46 19.96 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -108.83 122.59 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 2.1 mp0 -76.87 117.18 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -123.9 144.4 49.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 5.4 mm -102.75 141.41 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 110.25 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 HD22 ' CD ' ' A' ' 60' ' ' LYS . 39.0 mt -63.83 -44.44 93.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.86 154.38 81.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 113.18 3.73 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.519 1.8 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -108.47 116.76 32.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 p -120.36 149.12 42.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.54 124.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 m -75.72 58.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.01 121.51 35.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.22 2.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.02 -39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.75 133.35 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.21 116.24 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -92.78 124.85 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -150.8 173.26 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -111.89 -177.95 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.62 126.97 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.56 -21.32 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.44 159.07 6.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -107.61 101.85 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.69 123.8 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 25.5 tp -95.2 102.49 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.4 t -81.38 133.7 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -122.89 -40.03 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 124.06 46.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 54.3 mttt -117.16 102.79 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -110.79 104.02 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.76 25.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.53 -41.71 26.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' ASP . 20.2 m95 -86.93 127.38 35.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.3 m0 -113.97 161.84 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.01 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -95.17 115.59 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.86 169.51 16.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -144.33 153.7 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 68.4 mt -138.39 110.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.46 -65.41 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 9.3 m-20 -162.87 29.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -107.24 167.12 10.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.12 143.34 28.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.89 179.34 45.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.6 pt -103.39 156.47 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 59' ' ' VAL . 24.4 p90 -161.29 162.56 21.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 50.2 p -60.7 -15.96 34.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -83.42 -1.13 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.8 m-85 -118.36 31.89 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -145.7 140.74 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CD ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -116.66 154.04 49.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.01 5.48 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.3 100.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.39 156.35 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.62 150.54 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.33 -145.43 12.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 98.22 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.85 142.05 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.12 170.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -162.67 -57.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.55 146.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.95 -129.39 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 106.87 15.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -144.8 169.25 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.2 111.14 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.4 145.25 15.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -115.08 121.23 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -74.45 136.34 42.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 6.7 m-85 -139.94 152.94 46.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -109.08 134.68 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.82 7.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' TYR . 83.0 mt -66.41 -46.46 76.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.23 155.33 81.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -99.56 115.98 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -115.04 139.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.8 117.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.2 m -73.37 59.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.06 125.35 28.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.36 2.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.88 -38.93 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.85 126.92 31.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 tp -71.37 113.83 8.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -90.41 135.31 33.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CG ' HD13 ' A' ' 33' ' ' ILE . 13.4 p90 -154.12 -174.12 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -133.14 156.63 47.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.66 129.65 33.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.14 -26.7 21.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.61 151.78 28.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.76 103.55 14.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD13 ' CG ' ' A' ' 27' ' ' PHE . 8.0 mt -93.94 123.93 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.14 107.36 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG23 ' CE2' ' A' ' 54' ' ' PHE . 21.7 t -83.89 143.13 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -133.12 -44.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.46 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 27.1 mttp -107.67 102.82 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.43 103.56 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.23 -121.17 25.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -93.1 -23.05 18.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -98.98 107.97 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.7 m0 -95.63 164.68 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -102.04 115.81 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.65 169.05 15.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -145.78 154.17 41.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.804 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' ASP . 53.8 mt -138.49 110.83 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 -71.06 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.4 m-20 -153.21 25.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -102.62 166.86 10.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.12 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.95 178.7 40.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 pt -104.42 157.87 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' CE2' HG23 ' A' ' 35' ' ' VAL . 18.9 p90 -153.85 161.23 29.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.72 8.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.524 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 97.3 p -72.6 58.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -152.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.0 m-85 -75.51 3.64 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.25 140.7 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.7 pttt -119.39 158.6 48.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.82 5.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.7 ttpt -54.75 98.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.95 136.02 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -156.5 138.28 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.41 -85.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 93.68 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.43 153.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.91 84.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -147.89 154.21 40.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -73.82 -58.4 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.69 -143.32 3.69 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.01 75.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -114.39 106.44 14.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.41 -135.82 9.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.88 171.03 26.29 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.3 123.03 47.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -81.21 119.85 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -128.35 149.16 50.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -105.72 139.45 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 116.82 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.56 -40.89 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.09 154.26 77.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.758 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 36.1 t80 -104.66 121.07 42.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -122.99 116.55 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 1.4 t -127.69 163.22 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.41 37.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.5 141.08 22.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 49.62 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.99 40.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.28 118.17 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.74 104.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.7 p -84.11 127.99 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CG ' HD11 ' A' ' 33' ' ' ILE . 34.4 p90 -153.65 172.4 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -118.0 168.22 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 126.14 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 -28.39 9.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.15 151.71 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.93 107.96 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.509 HD11 ' CG ' ' A' ' 27' ' ' PHE . 11.5 mt -99.26 129.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -100.52 101.83 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.88 140.7 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -133.18 -44.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -111.02 122.56 48.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -114.19 102.96 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.02 102.86 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.64 -135.52 23.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.57 -40.07 30.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.483 ' CE3' HD12 ' A' ' 53' ' ' ILE . 27.4 m95 -87.21 132.45 33.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -115.98 156.29 26.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -89.82 115.61 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.43 168.53 17.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 4.1 t -143.71 151.31 39.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.99 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 49' ' ' ASP . 93.1 mt -138.66 110.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.88 -70.82 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.8 m-20 -155.21 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' OG ' ' A' ' 46' ' ' SER . 6.0 mtt180 -110.13 145.97 36.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 138.41 51.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.56 179.54 46.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HD12 ' CE3' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -101.8 157.33 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 0.719 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 59' ' ' VAL . 24.8 p90 -161.19 162.2 22.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.56 -14.77 61.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -85.37 -0.58 55.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.477 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.3 m-85 -118.25 30.17 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 54' ' ' PHE . 17.2 m -145.8 141.37 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.5 pttt -118.92 154.13 52.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.78 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.6 ttpt -52.87 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -174.19 156.24 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.0 t -148.63 167.45 25.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.49 -120.44 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.93 120.77 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.16 136.21 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.53 105.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -109.41 146.46 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.35 130.91 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.0 m -137.34 145.33 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -115.87 -61.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.56 69.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.41 149.73 17.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.25 120.78 43.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.59 119.9 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -126.55 144.45 50.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.5 mm -101.23 137.38 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.79 107.48 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 70.8 mt -61.71 -52.28 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 3.1 m-85 -129.2 157.49 75.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 55' ' ' PRO . 65.5 t80 -112.24 116.19 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -104.38 141.04 37.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.7 154.29 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -93.13 -16.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -101.0 139.36 20.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.23 -38.9 13.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 141.1 37.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 tp -77.78 110.02 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -86.47 127.67 34.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -149.55 160.36 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -108.22 171.33 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -66.01 128.92 37.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.61 -28.22 14.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.0 154.0 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 104.53 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.444 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 5.8 mt -93.94 122.97 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.64 106.02 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' CG1' ' HE3' ' A' ' 38' ' ' LYS . 32.0 t -79.94 141.5 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.34 -44.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 130.59 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttp -113.3 102.28 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -101.49 102.86 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.4 -121.31 25.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' O ' ' OG ' ' A' ' 56' ' ' SER . 6.2 mm-40 -90.92 -27.23 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -95.72 109.05 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.441 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 15.1 m0 -94.26 165.23 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -104.32 115.46 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -102.99 169.95 19.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 3.1 t -145.0 149.93 36.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ASP . 61.7 mt -138.56 110.51 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.5 -76.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.4 m-20 -145.82 20.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' OG ' ' A' ' 46' ' ' SER . 7.9 mtm180 -104.38 144.89 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.7 44.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.96 -179.41 48.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.7 pt -101.79 159.94 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -160.57 162.87 22.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 41' ' ' GLU . 36.6 p -70.3 58.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -145.65 -42.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.62 36.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.8 m -146.69 140.76 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.3 pttt -120.78 154.5 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.6 ttpt -52.96 97.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 -48.29 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -132.97 109.86 9.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.47 -70.87 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.47 32.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.431 1.753 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.49 131.23 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -109.24 160.49 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.58 156.47 45.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.49 150.81 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.07 73.37 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -59.94 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -65.75 107.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.51 104.32 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.0 148.71 9.43 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -118.39 124.01 46.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -74.63 136.72 41.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -141.12 147.4 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.2 mm -103.57 131.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 117.12 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.9 mt -75.69 -51.43 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 4.4 m-85 -125.41 154.27 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 81.9 t80 -101.49 115.83 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -123.07 148.94 45.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.48 136.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.72 52.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -116.04 122.72 31.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 51.3 2.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.17 -41.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.78 136.39 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.4 tp -80.35 108.99 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -78.89 136.11 37.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 12.7 p90 -158.06 176.57 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.43 170.35 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.84 124.54 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.07 -31.91 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -53.15 157.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -108.88 105.51 15.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.471 ' CG2' ' HA3' ' A' ' 45' ' ' GLY . 7.6 mt -93.87 127.7 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.95 107.0 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG23 ' CE2' ' A' ' 54' ' ' PHE . 5.7 t -86.03 125.09 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 p -113.74 -23.07 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -136.87 130.89 32.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -115.05 102.34 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -100.43 103.88 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.66 -117.32 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.05 -30.23 15.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -92.85 108.92 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 13.0 m0 -94.6 164.52 12.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -106.0 115.49 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -101.91 171.02 21.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 2.9 t -144.82 149.52 35.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 95.9 mt -138.63 110.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.85 -75.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -147.65 21.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.402 ' O ' ' OG ' ' A' ' 46' ' ' SER . 6.6 mtm180 -103.27 151.99 22.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.06 136.94 38.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.24 177.38 48.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 pt -102.53 157.18 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CE2' HG23 ' A' ' 35' ' ' VAL . 21.3 p90 -153.31 161.26 29.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.58 8.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 77.2 p -73.48 58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -150.85 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 5.1 m-85 -72.47 -0.66 13.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.17 140.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 1.5 pttt -118.21 160.21 40.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.34 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.468 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 9.0 ttpt -50.89 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.05 131.2 37.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 124.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.62 83.13 1.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.73 5.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.435 1.755 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t 57.37 93.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.9 m -57.95 120.58 8.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.58 107.44 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -126.75 95.01 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.96 175.57 14.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.94 -58.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.64 -56.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.01 -146.37 4.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.58 162.82 17.68 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -118.01 121.57 40.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.46 120.51 23.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.5 m-85 -129.31 146.08 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.27 136.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.9 105.22 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.99 -45.6 90.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.97 154.68 81.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.31 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -107.68 118.03 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.1 m -121.24 128.92 52.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -142.28 169.09 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.16 45.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 141.79 23.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.95 2.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 53' ' ' ILE . . . 165.31 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -129.17 116.54 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.38 102.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -80.17 127.48 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.509 ' CG ' HD12 ' A' ' 33' ' ' ILE . 18.7 p90 -151.92 167.69 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -112.22 174.73 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.29 130.7 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.05 -30.09 10.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 1.4 mp0 -55.05 142.91 28.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.15 122.07 33.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.509 HD12 ' CG ' ' A' ' 27' ' ' PHE . 8.8 mt -111.58 132.93 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -100.69 101.9 12.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 58.0 t -83.18 138.71 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -130.46 -43.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.8 127.78 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 19.5 mttp -116.39 102.55 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.82 103.92 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.51 -122.05 26.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.7 -42.3 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -86.71 117.0 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 12.6 m0 -101.31 162.14 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 m -97.88 115.77 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.94 172.81 28.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.43 144.4 27.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.0 mt -138.38 110.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.41 -73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -150.5 23.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -107.08 151.73 24.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.91 142.73 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.31 -176.47 47.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 23' ' ' GLY . 1.1 pp -101.78 158.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CZ ' HG23 ' A' ' 35' ' ' VAL . 13.0 p90 -161.42 161.64 22.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -68.76 -7.79 37.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -94.93 4.81 53.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.79 16.47 11.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.97 149.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 2.6 pttt -126.91 158.33 68.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 99.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.28 124.4 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.2 p -42.54 128.59 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.61 -145.47 15.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 127.33 10.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 m -43.02 -58.68 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 m 61.34 110.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.21 127.6 37.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 56.19 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.64 -102.23 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -144.33 115.5 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 p -127.09 109.52 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.04 -116.0 1.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.83 147.36 18.64 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -120.33 121.63 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.83 139.55 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 9.7 m-85 -140.99 147.0 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -102.99 118.85 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 116.47 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.81 -56.44 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -118.56 155.53 52.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 84.7 t80 -102.76 115.9 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -121.06 149.04 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.75 121.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -77.15 56.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -116.14 123.88 30.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.58 -41.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 130.97 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -67.21 125.46 26.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -93.06 125.98 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 30.4 p90 -152.06 178.73 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -121.32 -169.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 134.58 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.3 -28.63 11.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.63 149.01 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.13 104.81 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.3 mt -94.78 132.58 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.68 102.03 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 19.1 t -85.1 130.79 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.0 p -119.19 -38.29 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.5 130.88 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -116.4 102.35 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -101.85 103.83 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 -119.22 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.64 -36.08 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.33 111.2 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 12.8 m0 -95.9 161.29 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 m -99.54 115.76 30.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.352 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.49 168.92 23.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 143.89 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.2 mt -138.38 110.56 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.85 -69.07 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' ILE . 60.6 t0 -157.65 27.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -110.24 157.98 18.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.57 155.74 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.26 -174.66 41.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -101.87 158.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CZ ' HG23 ' A' ' 35' ' ' VAL . 18.1 p90 -161.24 162.22 22.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.65 5.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 11.7 p -74.15 -2.96 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.0 p-10 -98.45 -1.55 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -111.44 3.82 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.9 m -129.55 143.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.8 pttt -113.16 155.87 43.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.3 ttpt -54.17 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.58 144.4 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m 49.53 74.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.86 -162.79 30.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 p -139.04 147.41 42.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -164.9 -58.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -176.01 149.08 0.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 0.743 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m 60.5 91.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.067 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.76 147.4 4.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -101.88 126.12 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -176.99 164.32 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.77 79.27 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.76 156.17 27.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 38' ' ' LYS . 7.9 mt-10 -111.01 121.07 44.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -77.47 127.81 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 7.8 m-85 -136.07 153.06 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -110.86 130.12 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 111.7 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.95 -44.16 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -131.34 156.39 80.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 73.5 t80 -105.16 116.2 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p -115.87 148.3 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 112.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.7 m -74.86 60.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' CB ' ' OD1' ' A' ' 24' ' ' ASP . 1.1 mt-10 -115.99 130.83 24.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 51.28 2.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . -171.25 -38.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 21' ' ' GLU . 7.2 m-20 -77.24 128.62 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.79 109.22 8.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -82.52 132.73 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 32.4 p90 -156.3 178.15 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -124.6 169.35 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 125.15 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.82 -27.38 11.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -56.67 152.68 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.62 101.5 11.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.07 131.33 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.56 106.35 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -81.15 142.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 p -135.04 -45.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.38 125.08 53.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.452 ' NZ ' ' OE2' ' A' ' 9' ' ' GLU . 36.7 mttp -115.39 102.73 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 102.9 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 -139.24 26.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.96 -41.82 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.64 130.07 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.2 m0 -111.53 161.88 15.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -92.21 115.84 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.84 166.41 14.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -138.34 153.55 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . 80.1 mt -138.7 110.11 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 -65.12 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -161.38 28.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -110.82 167.46 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -144.78 164.22 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -174.24 34.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -107.67 159.21 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -161.35 162.04 22.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 119.83 5.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.9 p -68.43 -8.06 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.91 3.51 55.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.9 m-85 -119.98 17.82 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.74 141.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -116.73 155.28 49.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.3 ttpt -50.76 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.49 -56.44 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 100.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.51 97.32 0.59 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 90.67 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -138.57 152.16 47.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.8 p -166.09 115.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -126.61 101.6 6.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -133.8 163.97 28.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.81 -139.86 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.51 148.55 39.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 0.769 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 40.72 75.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -66.73 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 151.69 18.46 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -114.59 123.6 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.27 137.26 38.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' CD2' ' C ' ' A' ' 60' ' ' LYS . 8.1 m-85 -141.24 148.63 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mm -103.6 123.98 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.47 117.86 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD23 ' CD ' ' A' ' 60' ' ' LYS . 46.6 mt -73.91 -47.8 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -127.98 155.65 77.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 80.7 t80 -108.4 119.19 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -119.02 143.99 46.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.22 115.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.95 54.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -113.27 136.25 21.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.59 -38.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.429 1.081 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.69 122.19 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.6 146.31 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -114.75 125.61 53.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 33' ' ' ILE . 43.3 p90 -154.23 172.06 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -118.07 178.09 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.29 132.39 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.99 -24.83 30.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.14 162.16 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.24 105.86 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.4 mt -94.62 130.68 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 tp -96.7 101.96 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG23 ' CZ ' ' A' ' 54' ' ' PHE . 21.7 t -80.1 130.53 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.6 p -116.4 -33.14 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -132.48 137.02 47.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 18.1 mttp -115.47 101.88 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -100.17 102.9 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.52 -119.69 16.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -89.0 -38.32 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -87.06 109.87 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 22.6 m0 -93.62 154.65 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.036 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -93.25 115.79 28.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.06 164.09 15.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t -140.09 146.04 38.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.077 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ASP . 70.4 mt -138.79 110.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.55 -74.82 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.2 t70 -147.61 22.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' O ' ' OG ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -106.42 147.85 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.85 142.95 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.38 -171.42 44.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.5 pt -104.49 161.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 43' ' ' TRP . 10.6 p90 -161.1 161.2 24.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.03 120.06 5.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -70.08 -6.78 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 10.9 t30 -95.95 3.72 53.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.1 m-85 -117.67 1.63 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.2 m -129.61 141.3 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' C ' ' CD2' ' A' ' 11' ' ' TYR . 7.5 pttt -116.87 159.22 41.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.68 5.35 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -55.49 98.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.77 159.97 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -55.8 30.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.6 155.36 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.9 t -63.23 152.78 36.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 m -102.84 129.94 49.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 88.31 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 p -152.47 119.04 5.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.31 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -134.69 105.81 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -124.82 101.85 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.83 -121.38 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.89 154.13 1.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -109.33 121.13 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.42 132.86 41.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.9 m-85 -138.54 146.9 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.1 mm -102.19 148.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.96 111.19 21.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD22 ' CD ' ' A' ' 60' ' ' LYS . 23.9 mt -68.12 -43.84 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.98 152.8 81.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 112.54 3.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -106.58 115.99 31.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -114.05 149.02 36.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.59 114.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.13 57.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -114.36 131.78 23.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 51.06 2.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . -171.53 -38.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.47 130.28 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.4 tp -75.53 122.21 23.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.6 p -92.53 125.45 37.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CG ' HD12 ' A' ' 33' ' ' ILE . 37.2 p90 -150.53 165.4 33.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 p -113.26 174.52 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -70.77 130.11 40.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.87 -28.08 16.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.03 160.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.93 103.17 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.498 HD12 ' CG ' ' A' ' 27' ' ' PHE . 10.3 mt -94.65 123.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.2 tp -93.88 102.82 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.26 139.51 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.9 p -130.56 -43.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -113.73 126.11 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.506 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 28.1 mttp -115.61 102.71 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.28 103.02 11.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.09 -135.04 22.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.94 -43.59 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -87.54 130.02 34.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 8.5 m0 -111.27 164.68 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.4 m -96.47 115.65 27.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.07 172.34 29.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.42 145.32 29.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 86.8 mt -138.34 110.67 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.1 -71.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.3 m-20 -154.21 24.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -109.74 155.16 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 164.26 30.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 159.96 -172.39 36.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.84 157.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -161.21 162.15 22.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -64.0 -12.21 36.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -88.66 1.91 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.49 28.6 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.9 m -146.26 140.87 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -118.05 153.61 51.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.1 5.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.34 97.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.99 105.12 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 t -148.05 120.94 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.23 89.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 77.31 3.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.72 123.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.51 128.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -115.83 169.85 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.56 -57.88 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.23 94.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -155.84 138.8 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.06 124.23 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.8 57.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.06 151.56 23.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -120.24 121.39 38.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.764 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.19 124.11 27.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.0 m-85 -128.11 145.17 51.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.39 133.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.76 106.91 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' TYR . 42.2 mt -59.81 -41.22 90.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -132.52 154.75 81.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.29 2.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -98.51 116.04 29.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -113.59 142.81 45.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.42 122.72 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.37 54.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -116.09 126.11 27.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.56 -39.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.81 135.8 38.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 14.7 tp -79.05 117.66 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.4 p -92.45 129.88 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.3 p90 -153.03 164.86 37.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 p -108.32 172.36 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 126.01 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.31 -24.22 18.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.05 155.86 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.63 103.04 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.52 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.9 mt -93.9 121.56 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -93.19 102.24 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.97 143.11 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.1 p -133.7 -44.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 126.65 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttt -111.33 102.68 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.0 104.55 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.81 -111.71 2.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.23 -34.62 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -88.77 110.52 21.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 107.991 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.6 m0 -96.34 164.55 12.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -104.6 115.84 31.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -103.67 164.12 15.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -138.55 148.89 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' ASP . 84.3 mt -138.45 110.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.4 -77.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -146.26 21.83 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -100.44 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.06 137.44 23.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 179.92 179.86 48.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 pt -104.78 159.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.25 161.31 29.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 87.2 p -72.56 58.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -152.55 -43.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.6 m-85 -76.55 5.55 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.6 m -123.11 140.47 46.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -118.96 158.82 46.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.62 5.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 100.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.77 113.8 20.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.4 t -121.06 -59.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.82 88.49 1.96 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.44 41.07 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.33 155.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.49 122.87 21.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -111.5 122.15 47.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.77 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.0 117.62 21.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -128.41 148.39 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mm -107.87 134.75 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.81 113.11 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.92 -35.75 82.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -137.06 153.47 75.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.59 3.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -106.73 117.17 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 133.15 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.49 132.28 50.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -101.08 125.59 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -155.66 163.05 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -108.98 171.03 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 129.68 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.84 -29.74 10.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.83 154.04 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -102.98 106.89 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.18 128.03 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.5 tp -97.7 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.95 142.25 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.4 p -135.85 -45.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -111.44 124.31 52.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 20.8 mttp -115.26 102.88 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.19 102.97 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -130.17 20.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -84.34 -40.84 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -87.95 129.56 35.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 9.6 m0 -111.6 164.92 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -98.65 115.9 29.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 173.33 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -150.92 152.68 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 73.4 mt -138.63 110.54 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.19 -64.97 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.5 m-20 -161.76 28.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -104.53 165.95 10.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.16 146.42 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.06 176.65 39.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.57 158.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.627 ' CE1' HG11 ' A' ' 59' ' ' VAL . 18.5 p90 -161.0 161.88 23.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.518 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.99 117.34 4.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.6 p -62.64 -13.47 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.59 1.66 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -120.75 29.22 7.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 54' ' ' PHE . 15.9 m -146.03 143.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 10.1 pttt -122.1 157.99 56.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.3 121.43 37.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -78.81 136.38 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.6 m-85 -141.39 148.97 40.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.0 mm -104.45 125.34 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.41 120.99 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.6 mt -74.32 -51.92 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -125.06 156.72 68.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.94 107.67 2.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 57.7 t80 -102.14 121.87 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' CE1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -78.92 132.85 36.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.39 127.22 30.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.7 p -97.34 123.68 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 35.5 p90 -146.82 174.5 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.7 p -120.34 175.27 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.78 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.27 -27.76 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.3 mp0 -55.72 162.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.13 111.93 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -101.97 131.32 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.47 104.33 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -79.92 136.36 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -125.73 -42.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -122.55 135.59 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 16.4 mttp -117.16 101.84 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -103.37 103.39 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.5 -124.1 33.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -88.99 -38.19 14.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -88.55 107.99 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 107.974 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 16.1 m0 -91.19 162.95 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 m -100.67 115.69 30.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.69 166.72 21.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 145.17 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' ASP . 66.7 mt -138.49 110.55 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.01 -73.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' ILE . 21.9 t0 -149.78 21.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -104.93 159.15 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.21 150.96 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.71 179.94 43.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -101.88 159.36 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 p90 -161.16 161.15 24.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.526 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.95 122.73 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 30.6 p -72.13 -5.09 32.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -97.9 4.72 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.6 m-85 -118.92 5.14 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG21 ' CE1' ' A' ' 54' ' ' PHE . 33.9 m -132.48 142.35 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.6 pttt -117.25 158.92 43.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.93 5.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.1 ttpm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -108.75 121.75 45.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.57 133.87 44.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -135.99 143.69 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.3 mm -100.62 137.13 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.07 120.12 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.89 -49.47 24.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.91 155.4 77.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.9 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -110.83 116.26 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 132.73 37.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 47' ' ' ILE . 14.6 tp -68.8 117.8 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -92.02 124.4 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.612 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.9 p90 -149.95 163.85 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 p -106.22 177.19 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.31 126.85 31.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.44 -19.67 36.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.17 150.32 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.53 103.36 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.612 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.7 mt -94.42 126.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.86 101.86 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -81.67 136.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 p -127.7 -43.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -113.12 119.21 37.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 40.2 mttt -115.11 102.86 10.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.13 107.73 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.03 -143.8 31.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.22 -44.1 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -87.46 132.24 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.1 m0 -113.99 163.6 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -95.21 115.96 28.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.16 167.15 20.31 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.76 146.79 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ASP . 97.9 mt -138.51 110.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.42 -72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.6 t0 -152.53 23.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -105.04 161.74 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.74 27.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.0 179.82 48.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -101.97 158.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 59' ' ' VAL . 19.6 p90 -161.22 161.75 23.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.57 -10.76 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -90.92 2.66 56.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.8 m-85 -119.43 24.38 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 54' ' ' PHE . 24.6 m -146.2 140.76 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 4.1 ptpt -117.71 158.16 46.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.38 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.0 ttpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -112.01 124.2 51.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.01 140.73 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.698 ' CD1' HG23 ' A' ' 59' ' ' VAL . 11.8 m-85 -141.1 147.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 62' ' ' LYS . 2.8 mm -101.53 121.16 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -67.44 105.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.79 -53.97 50.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.99 153.63 55.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.44 7.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 63.7 t80 -114.35 119.78 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 111.078 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.95 132.43 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.84 133.58 49.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -100.15 144.11 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 44.8 p90 -169.81 169.55 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -116.94 178.89 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.49 135.13 42.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.19 -21.3 44.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.69 141.74 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -96.68 110.31 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.531 HG12 HD11 ' A' ' 47' ' ' ILE . 2.7 mp -101.05 133.96 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -95.81 103.37 15.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 t -84.22 132.76 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -121.78 -40.02 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.31 55.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 23.1 mttp -117.24 102.35 9.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -102.76 105.17 15.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -118.29 14.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -92.39 -39.49 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -87.64 114.38 24.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 9.8 m0 -100.9 157.1 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.978 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -92.67 115.51 28.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.19 160.18 20.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.9 141.48 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.531 HD11 HG12 ' A' ' 33' ' ' ILE . 56.8 mt -138.37 110.69 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.61 -70.4 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.1 t70 -156.27 25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -108.8 156.99 19.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.98 159.55 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.84 -175.84 37.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -101.7 154.42 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 43' ' ' TRP . 28.4 p90 -161.73 162.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 127.55 10.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 59' ' ' VAL . 8.4 p -73.12 -43.91 61.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -61.65 -14.3 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 5.8 m-85 -91.93 7.0 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.698 HG23 ' CD1' ' A' ' 11' ' ' TYR . 4.5 m -138.48 143.59 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 pttt -111.01 154.48 43.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' VAL . 13.9 mt-10 -120.19 120.97 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 34' ' ' LEU . 5.5 mp0 -72.44 140.6 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.3 m-85 -140.4 145.61 37.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -100.14 131.99 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.15 118.1 9.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 60' ' ' LYS . 91.0 mt -80.01 -44.85 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -133.45 152.6 79.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 115.35 4.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -106.64 117.82 35.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.97 133.01 39.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.5 tp -63.04 119.28 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 p -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.68 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.3 p90 -153.58 167.85 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -113.8 167.09 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -64.32 128.57 36.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.52 -35.71 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.27 160.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -110.08 107.44 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.68 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.0 mt -100.37 136.42 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD13 ' HG3' ' A' ' 10' ' ' GLU . 30.5 tp -108.41 104.88 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLU . 47.1 t -82.74 141.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -44.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.72 121.25 44.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -108.38 102.97 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -105.94 104.89 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -120.81 24.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.32 -21.13 18.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -101.51 110.62 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.058 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 7.8 m0 -100.47 161.48 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -97.39 116.03 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.52 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.75 170.26 18.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -147.2 152.87 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.6 mt -138.31 110.72 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.77 -63.9 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 t70 -163.82 30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -102.66 166.1 10.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.24 136.92 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 175.5 175.15 42.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LEU . 19.5 pt -101.9 154.9 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.797 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HE2' HG21 ' A' ' 59' ' ' VAL . 29.1 p90 -155.38 162.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.56 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 18.0 p -71.29 59.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.85 -45.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -85.54 40.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 54' ' ' PHE . 30.8 m -146.63 140.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.689 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.3 pttt -118.67 155.63 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.6 5.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -117.67 124.19 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.39 135.81 36.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 12.8 m-85 -140.91 146.76 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 62' ' ' LYS . 6.2 mm -101.85 126.75 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.4 114.9 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.75 -57.86 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.93 156.97 53.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 114.45 4.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -110.55 122.09 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 136.11 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 47' ' ' ILE . 15.7 tp -72.69 119.73 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.9 p -90.22 127.46 36.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -154.28 160.24 41.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -106.32 175.52 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.26 125.25 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.97 -27.77 12.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.17 147.57 20.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.06 104.03 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -93.94 134.03 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 tp -99.11 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.6 138.4 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.7 p -129.99 -43.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 128.65 55.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 17.6 mttt -115.6 102.58 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.32 102.65 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.1 -138.59 31.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -30.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 0.813 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -97.23 112.16 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.012 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.0 m0 -96.95 163.47 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -96.73 115.71 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -102.63 168.34 18.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.5 m -144.4 150.36 37.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.447 HG13 HD21 ' A' ' 25' ' ' LEU . 96.8 mt -138.36 110.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 -67.83 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ILE . 24.0 m-20 -157.95 26.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' SER . 6.1 mtt180 -111.34 156.62 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -139.33 164.14 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.1 -177.66 33.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 pt -103.16 158.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.21 162.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.01 117.26 4.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 53.9 p -68.05 -8.63 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -92.59 -1.81 56.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 4.2 m-85 -110.69 10.57 22.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.9 148.74 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -120.97 158.51 52.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HD2' HD11 ' A' ' 12' ' ' ILE . 11.0 ttpt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -109.15 123.11 48.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' HG3' HD13 ' A' ' 34' ' ' LEU . 9.2 mp0 -71.23 118.96 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -126.63 142.9 51.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.3 mm -97.76 146.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -87.01 102.35 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 mt -57.98 -58.42 8.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.69 157.12 52.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.05 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -103.2 122.56 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -121.6 116.95 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD21 HG13 ' A' ' 47' ' ' ILE . 10.7 tp -53.48 106.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 24' ' ' ASP . 46.3 p -90.89 123.45 34.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' ILE . 30.4 p90 -146.49 178.55 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 5.2 p -122.98 173.71 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -66.49 131.25 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.27 -34.18 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.9 146.8 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -96.46 114.75 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 4.5 mt -103.82 124.41 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG3' ' A' ' 10' ' ' GLU . 46.2 tp -97.73 102.62 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.659 HG11 ' HE3' ' A' ' 38' ' ' LYS . 93.3 t -80.09 142.8 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -133.1 -44.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 129.88 56.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.659 ' HE3' HG11 ' A' ' 35' ' ' VAL . 37.5 mttp -117.2 102.45 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' TRP . 8.7 t0 -110.53 102.75 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.18 -135.57 24.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.87 -40.69 31.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' ASP . 23.5 m95 -86.84 132.36 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -116.9 148.66 41.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.6 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.47 165.55 18.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.98 143.13 49.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' PHE . 46.3 mt -139.29 110.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 49' ' ' ASP . . . 61.44 31.57 77.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 t70 85.34 23.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 47' ' ' ILE . 7.4 mtm180 -96.42 173.27 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.46 144.95 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 171.88 36.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 pt -101.93 155.06 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' HG11 ' A' ' 59' ' ' VAL . 25.9 p90 -161.32 162.61 21.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.3 p -65.93 -10.26 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -89.52 3.75 51.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.1 m-85 -122.81 30.12 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.5 m -146.28 140.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 1.3 pttt -117.27 153.74 50.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.8 ttpt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.22 122.2 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -77.1 129.13 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -133.47 149.76 51.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -102.79 131.51 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.628 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.47 112.82 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' LYS . 74.8 mt -72.65 -49.16 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -129.81 152.94 80.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -108.83 116.62 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.4 134.6 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 129.89 41.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.5 p -110.61 130.01 55.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 33' ' ' ILE . 28.5 p90 -153.84 172.01 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -116.73 165.47 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 124.45 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.09 -32.13 6.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.23 159.25 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.23 103.71 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.628 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.5 mt -95.18 128.29 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' A' ' 10' ' ' GLU . 20.1 tp -103.67 102.21 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.93 132.66 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -119.7 -40.85 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 121.77 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -103.75 103.01 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.14 103.46 15.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.9 -109.64 0.9 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -96.16 -35.73 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -86.95 108.05 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 28.9 m0 -94.74 154.48 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.97 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.19 115.62 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.89 169.73 22.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.83 145.99 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.9 mt -138.5 110.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.05 -77.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.7 t0 -143.16 19.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -96.89 155.79 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 139.31 24.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.64 176.83 44.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 pt -101.81 154.81 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' HE2' HG21 ' A' ' 59' ' ' VAL . 32.0 p90 -154.06 162.56 26.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.82 5.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 56.8 p -72.99 58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -141.36 -45.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -85.84 40.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.612 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.2 m -146.35 140.51 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.6 pttt -120.8 155.9 56.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -113.1 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.61 120.59 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.4 m-85 -130.21 148.71 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -105.33 137.06 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 123.71 24.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD23 ' HE2' ' A' ' 60' ' ' LYS . 18.1 mt -74.73 -48.42 25.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -129.42 158.39 73.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.96 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 66.2 t80 -109.37 116.37 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.49 132.34 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 p -90.09 124.27 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 20.4 p90 -147.77 175.48 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.2 p -121.28 171.33 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 125.56 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.87 -21.25 30.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 157.6 12.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.734 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.22 105.75 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.06 125.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.87 107.0 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.4 t -87.65 122.8 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -114.41 -20.42 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -137.04 125.97 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 35.1 mttp -117.19 102.4 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.96 105.66 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.04 -139.72 28.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.38 -44.38 29.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -86.8 128.48 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 14.7 m0 -110.23 163.38 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -95.48 115.8 27.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.72 172.67 19.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -148.68 156.55 42.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 51.7 mt -138.73 110.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.28 -65.73 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 29.2 m-20 -161.82 28.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -105.56 169.3 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.16 145.54 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.89 175.18 39.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -102.16 158.18 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 59' ' ' VAL . 23.9 p90 -161.13 162.22 22.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 p -64.88 -11.28 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -87.01 3.43 45.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.4 m-85 -123.14 29.24 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 54' ' ' PHE . 13.8 m -146.24 143.71 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HE2' HD23 ' A' ' 14' ' ' LEU . 1.8 ptpt -122.69 158.44 56.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.74 5.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.8 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -108.83 122.59 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HG3' HD13 ' A' ' 34' ' ' LEU . 2.1 mp0 -76.87 117.18 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.4 m-85 -123.9 144.4 49.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' HE3' ' A' ' 62' ' ' LYS . 5.4 mm -102.75 141.41 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 110.25 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 60' ' ' LYS . 39.0 mt -63.83 -44.44 93.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.86 154.38 81.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 113.18 3.73 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.519 1.8 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -108.47 116.76 32.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.75 133.35 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.21 116.24 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -92.78 124.85 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -150.8 173.26 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -111.89 -177.95 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.62 126.97 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.56 -21.32 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.44 159.07 6.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -107.61 101.85 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.69 123.8 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 10' ' ' GLU . 25.5 tp -95.2 102.49 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.4 t -81.38 133.7 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -122.89 -40.03 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 124.06 46.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 54.3 mttt -117.16 102.79 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -110.79 104.02 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.76 25.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.53 -41.71 26.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' ASP . 20.2 m95 -86.93 127.38 35.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.3 m0 -113.97 161.84 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.01 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -95.17 115.59 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.86 169.51 16.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -144.33 153.7 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 68.4 mt -138.39 110.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.46 -65.41 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 9.3 m-20 -162.87 29.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -107.24 167.12 10.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.12 143.34 28.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.89 179.34 45.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.6 pt -103.39 156.47 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.88 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.4 p90 -161.29 162.56 21.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 59' ' ' VAL . 50.2 p -60.7 -15.96 34.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -83.42 -1.13 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.8 m-85 -118.36 31.89 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -145.7 140.74 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.478 ' HB3' HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -116.66 154.04 49.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.01 5.48 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -115.08 121.23 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -74.45 136.34 42.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.7 m-85 -139.94 152.94 46.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -109.08 134.68 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.82 7.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' TYR . 83.0 mt -66.41 -46.46 76.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.23 155.33 81.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -99.56 115.98 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.85 126.92 31.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 45' ' ' GLY . 11.0 tp -71.37 113.83 8.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -90.41 135.31 33.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CG ' HD11 ' A' ' 33' ' ' ILE . 13.4 p90 -154.12 -174.12 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -133.14 156.63 47.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.66 129.65 33.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.14 -26.7 21.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.61 151.78 28.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.76 103.55 14.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.57 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.0 mt -93.94 123.93 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.14 107.36 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG22 ' CE2' ' A' ' 54' ' ' PHE . 21.7 t -83.89 143.13 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -133.12 -44.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.46 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 27.1 mttp -107.67 102.82 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.43 103.56 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.23 -121.17 25.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -93.1 -23.05 18.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -98.98 107.97 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.7 m0 -95.63 164.68 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -102.04 115.81 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.55 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -105.65 169.05 15.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -145.78 154.17 41.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.804 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' ASP . 53.8 mt -138.49 110.83 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 -71.06 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.4 m-20 -153.21 25.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -102.62 166.86 10.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.12 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.95 178.7 40.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 pt -104.42 157.87 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.9 p90 -153.85 161.23 29.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.72 8.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 97.3 p -72.6 58.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -152.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.0 m-85 -75.51 3.64 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.6 m -123.25 140.7 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.7 pttt -119.39 158.6 48.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.82 5.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.7 ttpt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.3 123.03 47.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -81.21 119.85 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.9 m-85 -128.35 149.16 50.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -105.72 139.45 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 116.82 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.56 -40.89 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.09 154.26 77.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.758 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -104.66 121.07 42.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.28 118.17 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 47' ' ' ILE . 13.2 tp -66.74 104.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.7 p -84.11 127.99 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 33' ' ' ILE . 34.4 p90 -153.65 172.4 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -118.0 168.22 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 126.14 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 -28.39 9.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.15 151.71 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.93 107.96 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 27' ' ' PHE . 11.5 mt -99.26 129.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD13 ' HG3' ' A' ' 10' ' ' GLU . 32.8 tp -100.52 101.83 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.88 140.7 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -133.18 -44.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -111.02 122.56 48.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -114.19 102.96 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.02 102.86 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.64 -135.52 23.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.57 -40.07 30.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.527 ' CE3' HD12 ' A' ' 53' ' ' ILE . 27.4 m95 -87.21 132.45 33.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -115.98 156.29 26.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -89.82 115.61 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.43 168.53 17.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -143.71 151.31 39.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 25' ' ' LEU . 93.1 mt -138.66 110.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.88 -70.82 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.8 m-20 -155.21 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -110.13 145.97 36.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 138.41 51.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.56 179.54 46.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.527 HD12 ' CE3' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -101.8 157.33 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 0.719 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.85 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.8 p90 -161.19 162.2 22.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.56 -14.77 61.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -85.37 -0.58 55.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.477 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.3 m-85 -118.25 30.17 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.85 HG11 ' CE1' ' A' ' 54' ' ' PHE . 17.2 m -145.8 141.37 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.5 pttt -118.92 154.13 52.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.78 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.6 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.25 120.78 43.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.59 119.9 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -126.55 144.45 50.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.5 mm -101.23 137.38 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.79 107.48 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 70.8 mt -61.71 -52.28 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 3.1 m-85 -129.2 157.49 75.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 55' ' ' PRO . 65.5 t80 -112.24 116.19 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 141.1 37.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 47' ' ' ILE . 15.2 tp -77.78 110.02 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -86.47 127.67 34.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.5 p90 -149.55 160.36 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -108.22 171.33 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -66.01 128.92 37.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.61 -28.22 14.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.0 154.0 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 104.53 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.655 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.8 mt -93.94 122.97 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.64 106.02 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG11 ' HE3' ' A' ' 38' ' ' LYS . 32.0 t -79.94 141.5 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.34 -44.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 130.59 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.567 ' HE3' HG11 ' A' ' 35' ' ' VAL . 14.9 mttp -113.3 102.28 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -101.49 102.86 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.4 -121.31 25.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.92 -27.23 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -95.72 109.05 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.442 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 15.1 m0 -94.26 165.23 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -104.32 115.46 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -102.99 169.95 19.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -145.0 149.93 36.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ASP . 61.7 mt -138.56 110.51 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.5 -76.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.4 m-20 -145.82 20.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -104.38 144.89 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.7 44.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.96 -179.41 48.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.7 pt -101.79 159.94 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -160.57 162.87 22.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.6 p -70.3 58.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -145.65 -42.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.62 36.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 18.8 m -146.69 140.76 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.3 pttt -120.78 154.5 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.6 ttpt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -118.39 124.01 46.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -74.63 136.72 41.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -141.12 147.4 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.2 mm -103.57 131.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 117.12 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 60' ' ' LYS . 20.9 mt -75.69 -51.43 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 4.4 m-85 -125.41 154.27 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 81.9 t80 -101.49 115.83 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.78 136.39 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 47' ' ' ILE . 14.4 tp -80.35 108.99 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -78.89 136.11 37.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 33' ' ' ILE . 12.7 p90 -158.06 176.57 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.43 170.35 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.84 124.54 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.07 -31.91 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -53.15 157.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -108.88 105.51 15.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CG ' ' A' ' 27' ' ' PHE . 7.6 mt -93.87 127.7 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.95 107.0 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.03 125.09 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 p -113.74 -23.07 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -136.87 130.89 32.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -115.05 102.34 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -100.43 103.88 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.66 -117.32 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.05 -30.23 15.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -92.85 108.92 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 13.0 m0 -94.6 164.52 12.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -106.0 115.49 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.528 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -101.91 171.02 21.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -144.82 149.52 35.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HD21 ' A' ' 25' ' ' LEU . 95.9 mt -138.63 110.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.85 -75.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -147.65 21.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -103.27 151.99 22.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.06 136.94 38.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.24 177.38 48.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 pt -102.53 157.18 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.3 p90 -153.31 161.26 29.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.58 8.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 77.2 p -73.48 58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -150.85 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 5.1 m-85 -72.47 -0.66 13.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 54' ' ' PHE . 28.5 m -123.17 140.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 14' ' ' LEU . 1.5 pttt -118.21 160.21 40.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.34 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 9.0 ttpt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -118.01 121.57 40.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.46 120.51 23.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.5 m-85 -129.31 146.08 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.27 136.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . . . -79.9 105.22 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.99 -45.6 90.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.97 154.68 81.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.31 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -107.68 118.03 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 53' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -129.17 116.54 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.71 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.6 tp -69.38 102.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -80.17 127.48 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.732 ' CG ' HD11 ' A' ' 33' ' ' ILE . 18.7 p90 -151.92 167.69 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -112.22 174.73 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -69.29 130.7 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.05 -30.09 10.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 1.4 mp0 -55.05 142.91 28.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.15 122.07 33.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.8 mt -111.58 132.93 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -100.69 101.9 12.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.18 138.71 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -130.46 -43.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.8 127.78 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 19.5 mttp -116.39 102.55 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.82 103.92 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.51 -122.05 26.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.7 -42.3 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -86.71 117.0 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 12.6 m0 -101.31 162.14 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 m -97.88 115.77 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.71 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -96.94 172.81 28.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -148.43 144.4 27.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.495 HG13 HD21 ' A' ' 25' ' ' LEU . 65.0 mt -138.38 110.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.41 -73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -150.5 23.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' SER . 16.8 mtm180 -107.08 151.73 24.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.91 142.73 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.31 -176.47 47.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 23' ' ' GLY . 1.1 pp -101.78 158.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 13.0 p90 -161.42 161.64 22.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -68.76 -7.79 37.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -94.93 4.81 53.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.79 16.47 11.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.97 149.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 2.6 pttt -126.91 158.33 68.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -120.33 121.63 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.83 139.55 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -140.99 147.0 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -102.99 118.85 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 116.47 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.81 -56.44 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -118.56 155.53 52.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.94 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 84.7 t80 -102.76 115.9 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 130.97 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 47' ' ' ILE . 20.4 tp -67.21 125.46 26.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -93.06 125.98 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.555 ' CG ' HD11 ' A' ' 33' ' ' ILE . 30.4 p90 -152.06 178.73 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 p -121.32 -169.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 134.58 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.3 -28.63 11.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.63 149.01 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.13 104.81 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.3 mt -94.78 132.58 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.68 102.03 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 t -85.1 130.79 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.0 p -119.19 -38.29 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.5 130.88 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -116.4 102.35 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -101.85 103.83 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 -119.22 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.64 -36.08 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.33 111.2 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 12.8 m0 -95.9 161.29 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 m -99.54 115.76 30.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.352 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.49 168.92 23.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 143.89 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.2 mt -138.38 110.56 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.85 -69.07 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' ILE . 60.6 t0 -157.65 27.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -110.24 157.98 18.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.57 155.74 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.26 -174.66 41.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -101.87 158.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.1 p90 -161.24 162.22 22.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.65 5.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 11.7 p -74.15 -2.96 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.0 p-10 -98.45 -1.55 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -111.44 3.82 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -129.55 143.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.8 pttt -113.16 155.87 43.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -111.01 121.07 44.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -77.47 127.81 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.8 m-85 -136.07 153.06 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -110.86 130.12 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 111.7 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.95 -44.16 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -131.34 156.39 80.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 73.5 t80 -105.16 116.2 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.24 128.62 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 45' ' ' GLY . 15.0 tp -74.79 109.22 8.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -82.52 132.73 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 32.4 p90 -156.3 178.15 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.3 p -124.6 169.35 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 125.15 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.82 -27.38 11.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -56.67 152.68 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.62 101.5 11.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.416 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.1 mt -95.07 131.33 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.56 106.35 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -81.15 142.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 p -135.04 -45.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.38 125.08 53.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 36.7 mttp -115.39 102.73 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 102.9 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 -139.24 26.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.96 -41.82 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.64 130.07 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.2 m0 -111.53 161.88 15.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -92.21 115.84 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.51 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -104.84 166.41 14.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -138.34 153.55 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . 80.1 mt -138.7 110.11 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 -65.12 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -161.38 28.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -110.82 167.46 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -144.78 164.22 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -174.24 34.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -107.67 159.21 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -161.35 162.04 22.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 119.83 5.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.9 p -68.43 -8.06 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.91 3.51 55.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.9 m-85 -119.98 17.82 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.74 141.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -116.73 155.28 49.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.3 ttpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -114.59 123.6 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.27 137.26 38.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -141.24 148.63 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mm -103.6 123.98 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.47 117.86 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 mt -73.91 -47.8 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -127.98 155.65 77.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 80.7 t80 -108.4 119.19 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.69 122.19 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD22 ' C ' ' A' ' 45' ' ' GLY . 19.9 tp -64.6 146.31 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -114.75 125.61 53.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 33' ' ' ILE . 43.3 p90 -154.23 172.06 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.0 p -118.07 178.09 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.29 132.39 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.99 -24.83 30.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.14 162.16 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.24 105.86 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.4 mt -94.62 130.68 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 tp -96.7 101.96 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.1 130.53 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.6 p -116.4 -33.14 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -132.48 137.02 47.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 18.1 mttp -115.47 101.88 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -100.17 102.9 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.52 -119.69 16.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -89.0 -38.32 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -87.06 109.87 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 22.6 m0 -93.62 154.65 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.036 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -93.25 115.79 28.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.06 164.09 15.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t -140.09 146.04 38.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.077 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ASP . 70.4 mt -138.79 110.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.55 -74.82 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.2 t70 -147.61 22.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -106.42 147.85 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.85 142.95 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.38 -171.42 44.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.5 pt -104.49 161.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 59' ' ' VAL . 10.6 p90 -161.1 161.2 24.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.03 120.06 5.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -70.08 -6.78 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.95 3.72 53.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.1 m-85 -117.67 1.63 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.2 m -129.61 141.3 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.5 pttt -116.87 159.22 41.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.68 5.35 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 38' ' ' LYS . 2.2 mp0 -109.33 121.13 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.42 132.86 41.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.9 m-85 -138.54 146.9 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.1 mm -102.19 148.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.96 111.19 21.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 60' ' ' LYS . 23.9 mt -68.12 -43.84 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.98 152.8 81.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 112.54 3.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -106.58 115.99 31.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.47 130.28 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.411 HD21 HG13 ' A' ' 47' ' ' ILE . 16.4 tp -75.53 122.21 23.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.6 p -92.53 125.45 37.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CD1' HD11 ' A' ' 33' ' ' ILE . 37.2 p90 -150.53 165.4 33.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 6.0 p -113.26 174.52 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -70.77 130.11 40.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.87 -28.08 16.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.03 160.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.93 103.17 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 27' ' ' PHE . 10.3 mt -94.65 123.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.2 tp -93.88 102.82 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.26 139.51 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.9 p -130.56 -43.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -113.73 126.11 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 28.1 mttp -115.61 102.71 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.28 103.02 11.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.09 -135.04 22.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.94 -43.59 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -87.54 130.02 34.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 8.5 m0 -111.27 164.68 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 52' ' ' GLY . 3.4 m -96.47 115.65 27.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.07 172.34 29.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -147.42 145.32 29.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 86.8 mt -138.34 110.67 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.1 -71.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.3 m-20 -154.21 24.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 5.8 mtt180 -109.74 155.16 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 164.26 30.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . . . 159.96 -172.39 36.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.84 157.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE1' HG11 ' A' ' 59' ' ' VAL . 19.7 p90 -161.21 162.15 22.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -64.0 -12.21 36.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -88.66 1.91 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.49 28.6 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG11 ' CE1' ' A' ' 54' ' ' PHE . 22.9 m -146.26 140.87 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -118.05 153.61 51.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.1 5.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -120.24 121.39 38.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.764 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.19 124.11 27.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.0 m-85 -128.11 145.17 51.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.39 133.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -73.76 106.91 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' TYR . 42.2 mt -59.81 -41.22 90.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -132.52 154.75 81.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.29 2.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -98.51 116.04 29.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.992 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.81 135.8 38.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 47' ' ' ILE . 14.7 tp -79.05 117.66 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.4 p -92.45 129.88 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.3 p90 -153.03 164.86 37.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 p -108.32 172.36 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 126.01 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.31 -24.22 18.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.05 155.86 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.63 103.04 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.9 mt -93.9 121.56 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -93.19 102.24 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.97 143.11 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.1 p -133.7 -44.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 126.65 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttt -111.33 102.68 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.0 104.55 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.81 -111.71 2.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.23 -34.62 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.651 ' CE3' HD12 ' A' ' 53' ' ' ILE . 58.5 m95 -88.77 110.52 21.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 107.991 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.6 m0 -96.34 164.55 12.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -104.6 115.84 31.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.408 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -103.67 164.12 15.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -138.55 148.89 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' ASP . 84.3 mt -138.45 110.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.4 -77.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -146.26 21.83 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -100.44 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.06 137.44 23.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 179.92 179.86 48.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.651 HD12 ' CE3' ' A' ' 42' ' ' TRP . 3.2 pt -104.78 159.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.6 p90 -156.25 161.31 29.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 87.2 p -72.56 58.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -152.55 -43.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.6 m-85 -76.55 5.55 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.723 HG21 ' CE1' ' A' ' 54' ' ' PHE . 32.6 m -123.11 140.47 46.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -118.96 158.82 46.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.62 5.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t 61.7 166.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.33 101.33 2.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.87 128.09 9.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.81 130.5 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 169.37 20.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.764 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 173.96 138.23 2.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.6 -170.43 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -111.5 122.15 47.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.77 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.0 117.62 21.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -128.41 148.39 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mm -107.87 134.75 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.81 113.11 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.92 -35.75 82.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -137.06 153.47 75.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.59 3.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -106.73 117.17 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -113.91 113.83 25.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.02 131.08 51.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.53 -20.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -90.82 140.13 26.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.41 8.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.61 -50.25 5.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 133.15 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.49 132.28 50.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -101.08 125.59 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -155.66 163.05 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -108.98 171.03 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 129.68 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.84 -29.74 10.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.83 154.04 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -102.98 106.89 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.18 128.03 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.764 HD11 ' O ' ' A' ' 7' ' ' GLY . 36.5 tp -97.7 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.95 142.25 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.4 p -135.85 -45.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -111.44 124.31 52.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 20.8 mttp -115.26 102.88 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.19 102.97 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -130.17 20.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -84.34 -40.84 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -87.95 129.56 35.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 9.6 m0 -111.6 164.92 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -98.65 115.9 29.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 173.33 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -150.92 152.68 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 73.4 mt -138.63 110.54 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.19 -64.97 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.5 m-20 -161.76 28.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -104.53 165.95 10.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.16 146.42 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.06 176.65 39.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.57 158.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.627 ' CE1' HG11 ' A' ' 59' ' ' VAL . 18.5 p90 -161.0 161.88 23.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.518 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.99 117.34 4.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.6 p -62.64 -13.47 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.59 1.66 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -120.75 29.22 7.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 54' ' ' PHE . 15.9 m -146.03 143.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 10.1 pttt -122.1 157.99 56.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -95.39 120.65 36.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -127.52 132.38 49.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.6 157.15 15.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 67.68 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.2 p -45.62 130.02 8.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.14 93.12 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.3 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -137.58 130.63 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.49 -100.93 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 47.83 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -125.43 101.92 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.85 -119.39 4.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.28 159.3 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.3 121.43 37.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -78.81 136.38 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.6 m-85 -141.39 148.97 40.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.0 mm -104.45 125.34 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.41 120.99 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.6 mt -74.32 -51.92 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -125.06 156.72 68.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.94 107.67 2.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 57.7 t80 -102.14 121.87 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -116.83 141.71 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' H ' HG22 ' A' ' 26' ' ' THR . 1.4 m -134.72 129.18 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.2 -32.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.6 141.09 48.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 -52.02 6.64 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' CE1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -78.92 132.85 36.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.39 127.22 30.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 19' ' ' SER . 36.7 p -97.34 123.68 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 35.5 p90 -146.82 174.5 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.7 p -120.34 175.27 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.78 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.27 -27.76 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.3 mp0 -55.72 162.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.13 111.93 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -101.97 131.32 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.47 104.33 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -79.92 136.36 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -125.73 -42.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -122.55 135.59 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 16.4 mttp -117.16 101.84 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -103.37 103.39 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.5 -124.1 33.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -88.99 -38.19 14.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -88.55 107.99 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 107.974 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 16.1 m0 -91.19 162.95 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 m -100.67 115.69 30.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.69 166.72 21.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 145.17 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' ASP . 66.7 mt -138.49 110.55 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.01 -73.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' ILE . 21.9 t0 -149.78 21.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -104.93 159.15 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.21 150.96 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.71 179.94 43.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -101.88 159.36 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 p90 -161.16 161.15 24.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.526 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.95 122.73 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 30.6 p -72.13 -5.09 32.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -97.9 4.72 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.6 m-85 -118.92 5.14 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG21 ' CE1' ' A' ' 54' ' ' PHE . 33.9 m -132.48 142.35 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.6 pttt -117.25 158.92 43.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.93 5.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.1 ttpm? -54.85 98.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.27 163.07 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t 72.31 -65.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.049 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.79 77.88 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -50.16 143.88 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.95 79.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.96 95.13 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.22 125.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.71 -147.64 11.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -142.23 152.6 43.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -165.04 110.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.55 54.53 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.22 143.63 14.9 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -108.75 121.75 45.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.57 133.87 44.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -135.99 143.69 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.3 mm -100.62 137.13 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.07 120.12 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.89 -49.47 24.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.91 155.4 77.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.9 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -110.83 116.26 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -111.77 130.37 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.673 ' H ' HG22 ' A' ' 26' ' ' THR . 0.8 OUTLIER -115.89 137.49 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.3 m -78.91 -4.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.14 142.01 24.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.77 -45.44 6.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 132.73 37.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 47' ' ' ILE . 14.6 tp -68.8 117.8 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 19' ' ' SER . 43.8 p -92.02 124.4 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.612 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.9 p90 -149.95 163.85 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 p -106.22 177.19 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.31 126.85 31.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.44 -19.67 36.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.17 150.32 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.53 103.36 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.612 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.7 mt -94.42 126.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.86 101.86 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -81.67 136.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 p -127.7 -43.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -113.12 119.21 37.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 40.2 mttt -115.11 102.86 10.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.13 107.73 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.03 -143.8 31.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.22 -44.1 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -87.46 132.24 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.1 m0 -113.99 163.6 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -95.21 115.96 28.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.16 167.15 20.31 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.76 146.79 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ASP . 97.9 mt -138.51 110.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.42 -72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.6 t0 -152.53 23.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -105.04 161.74 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.74 27.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.0 179.82 48.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -101.97 158.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 59' ' ' VAL . 19.6 p90 -161.22 161.75 23.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.57 -10.76 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -90.92 2.66 56.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.8 m-85 -119.43 24.38 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 54' ' ' PHE . 24.6 m -146.2 140.76 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 4.1 ptpt -117.71 158.16 46.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.38 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.0 ttpm? -53.45 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t0 58.54 102.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 t -74.92 119.55 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.02 157.22 8.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 96.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m 51.63 82.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -154.14 162.8 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 123.56 33.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.92 -131.1 3.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -148.28 108.59 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -146.13 81.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.86 93.15 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.61 170.34 23.18 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -112.01 124.2 51.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.01 140.73 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.698 ' CD1' HG23 ' A' ' 59' ' ' VAL . 11.8 m-85 -141.1 147.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 62' ' ' LYS . 2.8 mm -101.53 121.16 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -67.44 105.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.79 -53.97 50.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.99 153.63 55.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.44 7.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 63.7 t80 -114.35 119.78 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 111.078 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -122.53 126.17 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.605 ' H ' HG22 ' A' ' 26' ' ' THR . 0.4 OUTLIER -117.23 146.01 43.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 20' ' ' VAL . 5.7 m -83.92 -15.28 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.03 139.83 22.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.3 9.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.68 -45.36 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.95 132.43 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.84 133.58 49.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 19' ' ' SER . 24.8 p -100.15 144.11 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 44.8 p90 -169.81 169.55 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -116.94 178.89 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.49 135.13 42.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.19 -21.3 44.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.69 141.74 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -96.68 110.31 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.531 HG12 HD11 ' A' ' 47' ' ' ILE . 2.7 mp -101.05 133.96 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -95.81 103.37 15.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 t -84.22 132.76 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -121.78 -40.02 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.31 55.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 23.1 mttp -117.24 102.35 9.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -102.76 105.17 15.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -118.29 14.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -92.39 -39.49 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -87.64 114.38 24.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 9.8 m0 -100.9 157.1 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.978 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -92.67 115.51 28.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.19 160.18 20.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.9 141.48 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.531 HD11 HG12 ' A' ' 33' ' ' ILE . 56.8 mt -138.37 110.69 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.61 -70.4 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.1 t70 -156.27 25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -108.8 156.99 19.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.98 159.55 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.84 -175.84 37.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -101.7 154.42 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 43' ' ' TRP . 28.4 p90 -161.73 162.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 127.55 10.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 59' ' ' VAL . 8.4 p -73.12 -43.91 61.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -61.65 -14.3 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 5.8 m-85 -91.93 7.0 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.698 HG23 ' CD1' ' A' ' 11' ' ' TYR . 4.5 m -138.48 143.59 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 pttt -111.01 154.48 43.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -51.9 97.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -80.96 154.01 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.78 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.063 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.89 97.25 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 118.9 5.42 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -37.35 17.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 t 60.09 68.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.946 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -58.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 54.92 82.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.44 -173.05 15.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.17 168.86 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -97.35 125.47 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.52 76.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.69 156.02 26.55 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' VAL . 13.9 mt-10 -120.19 120.97 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 34' ' ' LEU . 5.5 mp0 -72.44 140.6 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.3 m-85 -140.4 145.61 37.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -100.14 131.99 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.15 118.1 9.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 60' ' ' LYS . 91.0 mt -80.01 -44.85 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -133.45 152.6 79.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 115.35 4.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 23.5 t80 -106.64 117.82 35.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.683 ' H ' HG22 ' A' ' 26' ' ' THR . 81.0 p -100.88 132.2 46.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.38 -23.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 3.3 mm-40 -97.8 139.13 21.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 18.4 Cg_endo -75.01 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.14 -43.15 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.97 133.01 39.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.5 tp -63.04 119.28 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.683 HG22 ' H ' ' A' ' 19' ' ' SER . 3.6 p -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.68 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.3 p90 -153.58 167.85 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -113.8 167.09 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -64.32 128.57 36.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.52 -35.71 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.27 160.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -110.08 107.44 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.68 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.0 mt -100.37 136.42 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD13 ' HG3' ' A' ' 10' ' ' GLU . 30.5 tp -108.41 104.88 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLU . 47.1 t -82.74 141.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -44.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.72 121.25 44.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -108.38 102.97 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -105.94 104.89 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -120.81 24.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.32 -21.13 18.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -101.51 110.62 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.058 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 7.8 m0 -100.47 161.48 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -97.39 116.03 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.52 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.75 170.26 18.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -147.2 152.87 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.6 mt -138.31 110.72 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.77 -63.9 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 t70 -163.82 30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -102.66 166.1 10.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.24 136.92 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 175.5 175.15 42.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LEU . 19.5 pt -101.9 154.9 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.797 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HE2' HG21 ' A' ' 59' ' ' VAL . 29.1 p90 -155.38 162.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.56 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 18.0 p -71.29 59.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.85 -45.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -85.54 40.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 54' ' ' PHE . 30.8 m -146.63 140.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.689 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.3 pttt -118.67 155.63 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.6 5.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 69.44 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -175.92 117.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.57 119.74 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.87 37.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.09 -58.21 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.11 148.98 42.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.24 166.28 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -114.54 155.9 25.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.9 138.49 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -168.51 90.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.13 124.66 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.13 -84.57 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.05 143.32 25.11 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -117.67 124.19 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.39 135.81 36.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 12.8 m-85 -140.91 146.76 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 62' ' ' LYS . 6.2 mm -101.85 126.75 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.4 114.9 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.75 -57.86 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.93 156.97 53.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 114.45 4.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -110.55 122.09 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p -121.16 128.08 52.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 26' ' ' THR . 33.7 t -115.18 150.72 35.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.63 5.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -115.83 141.35 27.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.68 -43.82 7.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 136.11 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 47' ' ' ILE . 15.7 tp -72.69 119.73 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.541 HG22 ' H ' ' A' ' 19' ' ' SER . 42.9 p -90.22 127.46 36.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -154.28 160.24 41.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -106.32 175.52 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.26 125.25 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.97 -27.77 12.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.17 147.57 20.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.06 104.03 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -93.94 134.03 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 tp -99.11 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.6 138.4 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.7 p -129.99 -43.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 128.65 55.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 17.6 mttt -115.6 102.58 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.32 102.65 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.1 -138.59 31.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -30.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 0.813 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -97.23 112.16 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.012 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.0 m0 -96.95 163.47 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -96.73 115.71 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -102.63 168.34 18.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.5 m -144.4 150.36 37.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.447 HG13 HD21 ' A' ' 25' ' ' LEU . 96.8 mt -138.36 110.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 -67.83 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ILE . 24.0 m-20 -157.95 26.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' SER . 6.1 mtt180 -111.34 156.62 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -139.33 164.14 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.1 -177.66 33.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 pt -103.16 158.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.21 162.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.01 117.26 4.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 53.9 p -68.05 -8.63 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -92.59 -1.81 56.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 4.2 m-85 -110.69 10.57 22.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.9 148.74 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -120.97 158.51 52.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HD2' HD11 ' A' ' 12' ' ' ILE . 11.0 ttpt -50.09 96.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 117.13 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t -146.79 101.88 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.82 -122.72 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.67 9.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.37 84.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -130.92 -58.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 110.946 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -128.5 133.58 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.19 121.08 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.48 -169.86 42.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.71 139.82 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.69 102.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.95 -108.25 0.72 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.82 148.62 20.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -109.15 123.11 48.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' HG3' HD13 ' A' ' 34' ' ' LEU . 9.2 mp0 -71.23 118.96 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -126.63 142.9 51.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.3 mm -97.76 146.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -87.01 102.35 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 mt -57.98 -58.42 8.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.69 157.12 52.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.05 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -103.2 122.56 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -123.21 116.43 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.43 178.52 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 m -111.05 -17.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -92.55 138.59 23.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.46 8.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.6 13.5 58.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -121.6 116.95 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD21 HG13 ' A' ' 47' ' ' ILE . 10.7 tp -53.48 106.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 24' ' ' ASP . 46.3 p -90.89 123.45 34.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' ILE . 30.4 p90 -146.49 178.55 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 5.2 p -122.98 173.71 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -66.49 131.25 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.27 -34.18 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.9 146.8 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -96.46 114.75 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 4.5 mt -103.82 124.41 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG3' ' A' ' 10' ' ' GLU . 46.2 tp -97.73 102.62 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.659 HG11 ' HE3' ' A' ' 38' ' ' LYS . 93.3 t -80.09 142.8 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -133.1 -44.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 129.88 56.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.659 ' HE3' HG11 ' A' ' 35' ' ' VAL . 37.5 mttp -117.2 102.45 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' TRP . 8.7 t0 -110.53 102.75 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.18 -135.57 24.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.87 -40.69 31.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' ASP . 23.5 m95 -86.84 132.36 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -116.9 148.66 41.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.6 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.47 165.55 18.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.98 143.13 49.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' PHE . 46.3 mt -139.29 110.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 49' ' ' ASP . . . 61.44 31.57 77.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 t70 85.34 23.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 47' ' ' ILE . 7.4 mtm180 -96.42 173.27 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.46 144.95 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 171.88 36.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 pt -101.93 155.06 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' HG11 ' A' ' 59' ' ' VAL . 25.9 p90 -161.32 162.61 21.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.3 p -65.93 -10.26 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -89.52 3.75 51.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.1 m-85 -122.81 30.12 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.5 m -146.28 140.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 1.3 pttt -117.27 153.74 50.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.8 ttpt -51.9 97.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -104.58 125.52 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 t -91.02 123.28 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.95 148.47 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 73.61 4.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.2 p -125.66 122.7 37.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.5 m -61.16 -57.54 12.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.983 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.68 -59.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -132.12 138.12 47.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -127.74 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p 43.99 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.36 -55.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.16 -76.58 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.21 147.21 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.22 122.2 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -77.1 129.13 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -133.47 149.76 51.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -102.79 131.51 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.628 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.47 112.82 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' LYS . 74.8 mt -72.65 -49.16 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -129.81 152.94 80.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -108.83 116.62 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -108.16 136.36 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -125.36 152.44 44.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.78 -15.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.18 138.18 19.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.39 -45.45 7.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.4 134.6 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 129.89 41.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.5 p -110.61 130.01 55.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 33' ' ' ILE . 28.5 p90 -153.84 172.01 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -116.73 165.47 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 124.45 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.09 -32.13 6.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.23 159.25 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.23 103.71 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.628 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.5 mt -95.18 128.29 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' A' ' 10' ' ' GLU . 20.1 tp -103.67 102.21 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.93 132.66 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -119.7 -40.85 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 121.77 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -103.75 103.01 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.14 103.46 15.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.9 -109.64 0.9 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -96.16 -35.73 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -86.95 108.05 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 28.9 m0 -94.74 154.48 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.97 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.19 115.62 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.89 169.73 22.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.83 145.99 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.9 mt -138.5 110.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.05 -77.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.7 t0 -143.16 19.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -96.89 155.79 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 139.31 24.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.64 176.83 44.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 pt -101.81 154.81 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' HE2' HG21 ' A' ' 59' ' ' VAL . 32.0 p90 -154.06 162.56 26.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.82 5.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 56.8 p -72.99 58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -141.36 -45.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -85.84 40.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.612 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.2 m -146.35 140.51 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.6 pttt -120.8 155.9 56.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.69 97.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.17 -51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -54.9 -57.21 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.41 115.65 7.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.13 5.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -139.44 108.64 6.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t 54.88 100.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.137 . . . . 0.0 110.997 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -123.93 123.07 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.27 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.25 -179.74 42.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -111.18 -60.54 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -170.68 132.97 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 -123.08 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.08 153.78 21.08 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -113.1 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.61 120.59 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.4 m-85 -130.21 148.71 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -105.33 137.06 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 123.71 24.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD23 ' HE2' ' A' ' 60' ' ' LYS . 18.1 mt -74.73 -48.42 25.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -129.42 158.39 73.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.96 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 66.2 t80 -109.37 116.37 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -122.15 149.03 44.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.439 ' O ' ' CG2' ' A' ' 26' ' ' THR . 0.2 OUTLIER -172.16 123.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 20' ' ' VAL . 35.9 m -79.2 58.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -115.63 129.61 25.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 51.0 2.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.87 -38.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.49 132.34 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 19' ' ' SER . 37.4 p -90.09 124.27 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 20.4 p90 -147.77 175.48 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.2 p -121.28 171.33 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 125.56 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.87 -21.25 30.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 157.6 12.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.734 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.22 105.75 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.06 125.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.87 107.0 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.4 t -87.65 122.8 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -114.41 -20.42 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -137.04 125.97 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 35.1 mttp -117.19 102.4 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.96 105.66 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.04 -139.72 28.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.38 -44.38 29.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -86.8 128.48 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 14.7 m0 -110.23 163.38 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -95.48 115.8 27.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.72 172.67 19.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -148.68 156.55 42.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 51.7 mt -138.73 110.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.28 -65.73 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 29.2 m-20 -161.82 28.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -105.56 169.3 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.16 145.54 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.89 175.18 39.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -102.16 158.18 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 59' ' ' VAL . 23.9 p90 -161.13 162.22 22.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 p -64.88 -11.28 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -87.01 3.43 45.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.4 m-85 -123.14 29.24 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 54' ' ' PHE . 13.8 m -146.24 143.71 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HE2' HD23 ' A' ' 14' ' ' LEU . 1.8 ptpt -122.69 158.44 56.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.74 5.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.8 ttpt -53.25 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.53 156.09 49.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.7 m -158.18 152.72 24.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.12 -142.23 11.59 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.97 104.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -87.45 108.85 19.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.36 129.46 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -96.12 121.13 37.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 158.62 12.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -68.2 160.77 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.761 . . . . 0.0 110.0 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -151.92 112.65 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.87 71.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.58 148.46 19.96 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -108.83 122.59 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HG3' HD13 ' A' ' 34' ' ' LEU . 2.1 mp0 -76.87 117.18 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.4 m-85 -123.9 144.4 49.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' HE3' ' A' ' 62' ' ' LYS . 5.4 mm -102.75 141.41 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 110.25 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 60' ' ' LYS . 39.0 mt -63.83 -44.44 93.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.86 154.38 81.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 113.18 3.73 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.519 1.8 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -108.47 116.76 32.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 p -120.36 149.12 42.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.54 124.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 m -75.72 58.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.01 121.51 35.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.22 2.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.02 -39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.75 133.35 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.21 116.24 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -92.78 124.85 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -150.8 173.26 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -111.89 -177.95 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.62 126.97 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.56 -21.32 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.44 159.07 6.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -107.61 101.85 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.69 123.8 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 10' ' ' GLU . 25.5 tp -95.2 102.49 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.4 t -81.38 133.7 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -122.89 -40.03 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 124.06 46.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 54.3 mttt -117.16 102.79 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -110.79 104.02 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.76 25.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.53 -41.71 26.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' ASP . 20.2 m95 -86.93 127.38 35.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.3 m0 -113.97 161.84 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.01 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -95.17 115.59 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.86 169.51 16.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -144.33 153.7 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 68.4 mt -138.39 110.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.46 -65.41 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 9.3 m-20 -162.87 29.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -107.24 167.12 10.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.12 143.34 28.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.89 179.34 45.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.6 pt -103.39 156.47 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.88 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.4 p90 -161.29 162.56 21.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 59' ' ' VAL . 50.2 p -60.7 -15.96 34.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -83.42 -1.13 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.8 m-85 -118.36 31.89 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -145.7 140.74 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.478 ' HB3' HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -116.66 154.04 49.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.01 5.48 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.3 100.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.39 156.35 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.62 150.54 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.33 -145.43 12.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 98.22 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.85 142.05 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.12 170.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -162.67 -57.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.55 146.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.95 -129.39 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 106.87 15.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -144.8 169.25 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.2 111.14 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.4 145.25 15.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -115.08 121.23 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -74.45 136.34 42.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.7 m-85 -139.94 152.94 46.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -109.08 134.68 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.82 7.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' TYR . 83.0 mt -66.41 -46.46 76.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.23 155.33 81.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -99.56 115.98 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -115.04 139.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.8 117.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 20' ' ' VAL . 25.2 m -73.37 59.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.06 125.35 28.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.36 2.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.88 -38.93 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.85 126.92 31.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 45' ' ' GLY . 11.0 tp -71.37 113.83 8.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -90.41 135.31 33.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CG ' HD11 ' A' ' 33' ' ' ILE . 13.4 p90 -154.12 -174.12 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -133.14 156.63 47.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.66 129.65 33.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.14 -26.7 21.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.61 151.78 28.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.76 103.55 14.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.57 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.0 mt -93.94 123.93 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.14 107.36 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG22 ' CE2' ' A' ' 54' ' ' PHE . 21.7 t -83.89 143.13 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -133.12 -44.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.46 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 27.1 mttp -107.67 102.82 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.43 103.56 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.23 -121.17 25.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -93.1 -23.05 18.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -98.98 107.97 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.7 m0 -95.63 164.68 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -102.04 115.81 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -105.65 169.05 15.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -145.78 154.17 41.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.804 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' ASP . 53.8 mt -138.49 110.83 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 -71.06 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.4 m-20 -153.21 25.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -102.62 166.86 10.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.12 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.95 178.7 40.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 pt -104.42 157.87 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.9 p90 -153.85 161.23 29.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.72 8.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 97.3 p -72.6 58.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -152.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.0 m-85 -75.51 3.64 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.6 m -123.25 140.7 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.7 pttt -119.39 158.6 48.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.82 5.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.7 ttpt -54.75 98.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.95 136.02 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -156.5 138.28 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.41 -85.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 93.68 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.43 153.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.91 84.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -147.89 154.21 40.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -73.82 -58.4 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.69 -143.32 3.69 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.01 75.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -114.39 106.44 14.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.41 -135.82 9.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.88 171.03 26.29 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.3 123.03 47.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -81.21 119.85 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.9 m-85 -128.35 149.16 50.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -105.72 139.45 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 116.82 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.56 -40.89 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.09 154.26 77.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.758 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 36.1 t80 -104.66 121.07 42.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -122.99 116.55 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 1.4 t -127.69 163.22 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.41 37.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.7 mt-10 -99.5 141.08 22.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 18.4 Cg_endo -74.95 49.62 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.99 40.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.28 118.17 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 47' ' ' ILE . 13.2 tp -66.74 104.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.7 p -84.11 127.99 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 33' ' ' ILE . 34.4 p90 -153.65 172.4 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -118.0 168.22 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 126.14 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 -28.39 9.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.15 151.71 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.93 107.96 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 27' ' ' PHE . 11.5 mt -99.26 129.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD13 ' HG3' ' A' ' 10' ' ' GLU . 32.8 tp -100.52 101.83 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.88 140.7 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -133.18 -44.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -111.02 122.56 48.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -114.19 102.96 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.02 102.86 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.64 -135.52 23.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.57 -40.07 30.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.527 ' CE3' HD12 ' A' ' 53' ' ' ILE . 27.4 m95 -87.21 132.45 33.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -115.98 156.29 26.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -89.82 115.61 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.43 168.53 17.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -143.71 151.31 39.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 25' ' ' LEU . 93.1 mt -138.66 110.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.88 -70.82 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.8 m-20 -155.21 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -110.13 145.97 36.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 138.41 51.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.56 179.54 46.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.527 HD12 ' CE3' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -101.8 157.33 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 0.719 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.85 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.8 p90 -161.19 162.2 22.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.56 -14.77 61.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -85.37 -0.58 55.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.477 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.3 m-85 -118.25 30.17 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.85 HG11 ' CE1' ' A' ' 54' ' ' PHE . 17.2 m -145.8 141.37 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.5 pttt -118.92 154.13 52.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.78 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.6 ttpt -52.87 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -174.19 156.24 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.0 t -148.63 167.45 25.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.49 -120.44 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.93 120.77 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.16 136.21 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.53 105.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -109.41 146.46 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.35 130.91 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.0 m -137.34 145.33 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -115.87 -61.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.56 69.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.41 149.73 17.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.25 120.78 43.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.59 119.9 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -126.55 144.45 50.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.5 mm -101.23 137.38 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.79 107.48 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 70.8 mt -61.71 -52.28 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 3.1 m-85 -129.2 157.49 75.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 55' ' ' PRO . 65.5 t80 -112.24 116.19 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -104.38 141.04 37.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.7 154.29 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -93.13 -16.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 56.3 mt-10 -101.0 139.36 20.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 18.1 Cg_endo -75.06 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.23 -38.9 13.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 141.1 37.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 47' ' ' ILE . 15.2 tp -77.78 110.02 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -86.47 127.67 34.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.5 p90 -149.55 160.36 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -108.22 171.33 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -66.01 128.92 37.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.61 -28.22 14.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.0 154.0 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 104.53 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.655 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.8 mt -93.94 122.97 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.64 106.02 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG11 ' HE3' ' A' ' 38' ' ' LYS . 32.0 t -79.94 141.5 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.34 -44.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 130.59 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.567 ' HE3' HG11 ' A' ' 35' ' ' VAL . 14.9 mttp -113.3 102.28 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -101.49 102.86 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.4 -121.31 25.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.92 -27.23 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -95.72 109.05 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.442 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 15.1 m0 -94.26 165.23 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -104.32 115.46 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -102.99 169.95 19.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -145.0 149.93 36.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ASP . 61.7 mt -138.56 110.51 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.5 -76.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.4 m-20 -145.82 20.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -104.38 144.89 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.7 44.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.96 -179.41 48.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.7 pt -101.79 159.94 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -160.57 162.87 22.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.6 p -70.3 58.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -145.65 -42.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.62 36.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 18.8 m -146.69 140.76 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.3 pttt -120.78 154.5 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.6 ttpt -52.96 97.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 -48.29 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -132.97 109.86 9.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.47 -70.87 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.47 32.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.431 1.753 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.49 131.23 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -109.24 160.49 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.58 156.47 45.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.49 150.81 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.07 73.37 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -59.94 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -65.75 107.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.51 104.32 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.0 148.71 9.43 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -118.39 124.01 46.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -74.63 136.72 41.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -141.12 147.4 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.2 mm -103.57 131.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 117.12 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 60' ' ' LYS . 20.9 mt -75.69 -51.43 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 4.4 m-85 -125.41 154.27 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 81.9 t80 -101.49 115.83 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -123.07 148.94 45.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.48 136.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.72 52.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -116.04 122.72 31.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 51.3 2.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.17 -41.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.78 136.39 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 47' ' ' ILE . 14.4 tp -80.35 108.99 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -78.89 136.11 37.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 33' ' ' ILE . 12.7 p90 -158.06 176.57 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.43 170.35 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.84 124.54 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.07 -31.91 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -53.15 157.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -108.88 105.51 15.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CG ' ' A' ' 27' ' ' PHE . 7.6 mt -93.87 127.7 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.95 107.0 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.03 125.09 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 p -113.74 -23.07 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -136.87 130.89 32.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -115.05 102.34 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -100.43 103.88 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.66 -117.32 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.05 -30.23 15.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -92.85 108.92 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 13.0 m0 -94.6 164.52 12.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -106.0 115.49 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.528 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -101.91 171.02 21.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -144.82 149.52 35.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HD21 ' A' ' 25' ' ' LEU . 95.9 mt -138.63 110.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.85 -75.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -147.65 21.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -103.27 151.99 22.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.06 136.94 38.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.24 177.38 48.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 pt -102.53 157.18 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.3 p90 -153.31 161.26 29.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.58 8.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 77.2 p -73.48 58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -150.85 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 5.1 m-85 -72.47 -0.66 13.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 54' ' ' PHE . 28.5 m -123.17 140.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 14' ' ' LEU . 1.5 pttt -118.21 160.21 40.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.34 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 9.0 ttpt -50.89 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.05 131.2 37.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 124.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.62 83.13 1.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.73 5.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.435 1.755 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t 57.37 93.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.9 m -57.95 120.58 8.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.58 107.44 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -126.75 95.01 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.96 175.57 14.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.94 -58.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.64 -56.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.01 -146.37 4.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.58 162.82 17.68 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -118.01 121.57 40.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.46 120.51 23.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.5 m-85 -129.31 146.08 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.27 136.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . . . -79.9 105.22 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.99 -45.6 90.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.97 154.68 81.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.31 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -107.68 118.03 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.1 m -121.24 128.92 52.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -142.28 169.09 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.16 45.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 141.79 23.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.95 2.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 53' ' ' ILE . . . 165.31 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -129.17 116.54 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.71 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.6 tp -69.38 102.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -80.17 127.48 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.732 ' CG ' HD11 ' A' ' 33' ' ' ILE . 18.7 p90 -151.92 167.69 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -112.22 174.73 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -69.29 130.7 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.05 -30.09 10.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 1.4 mp0 -55.05 142.91 28.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.15 122.07 33.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.8 mt -111.58 132.93 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -100.69 101.9 12.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.18 138.71 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -130.46 -43.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.8 127.78 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 19.5 mttp -116.39 102.55 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.82 103.92 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.51 -122.05 26.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.7 -42.3 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -86.71 117.0 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 12.6 m0 -101.31 162.14 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 m -97.88 115.77 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.71 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -96.94 172.81 28.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -148.43 144.4 27.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG13 HD21 ' A' ' 25' ' ' LEU . 65.0 mt -138.38 110.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.41 -73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -150.5 23.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' SER . 16.8 mtm180 -107.08 151.73 24.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.91 142.73 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.31 -176.47 47.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 23' ' ' GLY . 1.1 pp -101.78 158.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 13.0 p90 -161.42 161.64 22.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -68.76 -7.79 37.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -94.93 4.81 53.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.79 16.47 11.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.97 149.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 2.6 pttt -126.91 158.33 68.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 99.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.28 124.4 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.2 p -42.54 128.59 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.61 -145.47 15.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 127.33 10.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 m -43.02 -58.68 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 m 61.34 110.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.21 127.6 37.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 56.19 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.64 -102.23 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -144.33 115.5 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 p -127.09 109.52 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.04 -116.0 1.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.83 147.36 18.64 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -120.33 121.63 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.83 139.55 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -140.99 147.0 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -102.99 118.85 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 116.47 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.81 -56.44 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -118.56 155.53 52.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.94 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 84.7 t80 -102.76 115.9 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -121.06 149.04 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.75 121.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -77.15 56.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -116.14 123.88 30.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.58 -41.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 130.97 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 47' ' ' ILE . 20.4 tp -67.21 125.46 26.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -93.06 125.98 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.555 ' CG ' HD11 ' A' ' 33' ' ' ILE . 30.4 p90 -152.06 178.73 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 p -121.32 -169.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 134.58 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.3 -28.63 11.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.63 149.01 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.13 104.81 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.3 mt -94.78 132.58 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.68 102.03 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 t -85.1 130.79 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.0 p -119.19 -38.29 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.5 130.88 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -116.4 102.35 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -101.85 103.83 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 -119.22 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.64 -36.08 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.33 111.2 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 12.8 m0 -95.9 161.29 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 m -99.54 115.76 30.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.352 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.49 168.92 23.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 143.89 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.2 mt -138.38 110.56 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.85 -69.07 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' ILE . 60.6 t0 -157.65 27.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -110.24 157.98 18.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.57 155.74 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.26 -174.66 41.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -101.87 158.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.1 p90 -161.24 162.22 22.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.65 5.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 11.7 p -74.15 -2.96 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.0 p-10 -98.45 -1.55 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -111.44 3.82 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -129.55 143.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.8 pttt -113.16 155.87 43.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.3 ttpt -54.17 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.58 144.4 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m 49.53 74.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.86 -162.79 30.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 p -139.04 147.41 42.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -164.9 -58.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -176.01 149.08 0.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 0.743 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m 60.5 91.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.067 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.76 147.4 4.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -101.88 126.12 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -176.99 164.32 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.77 79.27 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.76 156.17 27.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -111.01 121.07 44.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -77.47 127.81 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.8 m-85 -136.07 153.06 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -110.86 130.12 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 111.7 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.95 -44.16 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -131.34 156.39 80.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 73.5 t80 -105.16 116.2 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p -115.87 148.3 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 112.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.7 m -74.86 60.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' CB ' ' OD1' ' A' ' 24' ' ' ASP . 1.1 mt-10 -115.99 130.83 24.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 51.28 2.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . -171.25 -38.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 21' ' ' GLU . 7.2 m-20 -77.24 128.62 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 45' ' ' GLY . 15.0 tp -74.79 109.22 8.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -82.52 132.73 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 32.4 p90 -156.3 178.15 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.3 p -124.6 169.35 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 125.15 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.82 -27.38 11.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -56.67 152.68 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.62 101.5 11.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.416 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.1 mt -95.07 131.33 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.56 106.35 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -81.15 142.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 p -135.04 -45.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.38 125.08 53.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 36.7 mttp -115.39 102.73 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 102.9 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 -139.24 26.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.96 -41.82 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.64 130.07 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.2 m0 -111.53 161.88 15.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -92.21 115.84 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -104.84 166.41 14.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -138.34 153.55 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . 80.1 mt -138.7 110.11 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 -65.12 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -161.38 28.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -110.82 167.46 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -144.78 164.22 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -174.24 34.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -107.67 159.21 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -161.35 162.04 22.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 119.83 5.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.9 p -68.43 -8.06 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.91 3.51 55.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.9 m-85 -119.98 17.82 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.74 141.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -116.73 155.28 49.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.3 ttpt -50.76 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.49 -56.44 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 100.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.51 97.32 0.59 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 90.67 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -138.57 152.16 47.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.8 p -166.09 115.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -126.61 101.6 6.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -133.8 163.97 28.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.81 -139.86 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.51 148.55 39.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 0.769 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 40.72 75.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -66.73 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 151.69 18.46 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -114.59 123.6 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.27 137.26 38.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -141.24 148.63 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mm -103.6 123.98 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.47 117.86 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 mt -73.91 -47.8 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -127.98 155.65 77.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 80.7 t80 -108.4 119.19 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -119.02 143.99 46.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.22 115.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.95 54.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -113.27 136.25 21.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.59 -38.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.429 1.081 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.69 122.19 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD22 ' C ' ' A' ' 45' ' ' GLY . 19.9 tp -64.6 146.31 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -114.75 125.61 53.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 33' ' ' ILE . 43.3 p90 -154.23 172.06 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.0 p -118.07 178.09 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.29 132.39 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.99 -24.83 30.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.14 162.16 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.24 105.86 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.4 mt -94.62 130.68 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 tp -96.7 101.96 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.1 130.53 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.6 p -116.4 -33.14 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -132.48 137.02 47.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 18.1 mttp -115.47 101.88 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -100.17 102.9 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.52 -119.69 16.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -89.0 -38.32 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -87.06 109.87 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 22.6 m0 -93.62 154.65 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.036 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -93.25 115.79 28.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.06 164.09 15.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t -140.09 146.04 38.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.077 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ASP . 70.4 mt -138.79 110.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.55 -74.82 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.2 t70 -147.61 22.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -106.42 147.85 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.85 142.95 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.38 -171.42 44.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.5 pt -104.49 161.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 59' ' ' VAL . 10.6 p90 -161.1 161.2 24.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.03 120.06 5.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -70.08 -6.78 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -95.95 3.72 53.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.1 m-85 -117.67 1.63 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.2 m -129.61 141.3 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.5 pttt -116.87 159.22 41.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.68 5.35 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -55.49 98.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.77 159.97 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -55.8 30.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.6 155.36 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.9 t -63.23 152.78 36.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 m -102.84 129.94 49.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 88.31 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 p -152.47 119.04 5.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.31 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -134.69 105.81 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -124.82 101.85 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.83 -121.38 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.89 154.13 1.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 38' ' ' LYS . 2.2 mp0 -109.33 121.13 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.42 132.86 41.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.9 m-85 -138.54 146.9 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.1 mm -102.19 148.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.96 111.19 21.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 60' ' ' LYS . 23.9 mt -68.12 -43.84 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.98 152.8 81.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 112.54 3.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -106.58 115.99 31.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -114.05 149.02 36.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.59 114.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.13 57.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -114.36 131.78 23.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 51.06 2.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . -171.53 -38.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.47 130.28 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD21 HG13 ' A' ' 47' ' ' ILE . 16.4 tp -75.53 122.21 23.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.6 p -92.53 125.45 37.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CD1' HD11 ' A' ' 33' ' ' ILE . 37.2 p90 -150.53 165.4 33.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 6.0 p -113.26 174.52 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -70.77 130.11 40.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.87 -28.08 16.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.03 160.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.93 103.17 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 27' ' ' PHE . 10.3 mt -94.65 123.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.2 tp -93.88 102.82 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.26 139.51 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.9 p -130.56 -43.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -113.73 126.11 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 28.1 mttp -115.61 102.71 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.28 103.02 11.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.09 -135.04 22.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.94 -43.59 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -87.54 130.02 34.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 8.5 m0 -111.27 164.68 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 52' ' ' GLY . 3.4 m -96.47 115.65 27.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.07 172.34 29.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -147.42 145.32 29.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 86.8 mt -138.34 110.67 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.1 -71.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.3 m-20 -154.21 24.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 5.8 mtt180 -109.74 155.16 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 164.26 30.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . . . 159.96 -172.39 36.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.84 157.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE1' HG11 ' A' ' 59' ' ' VAL . 19.7 p90 -161.21 162.15 22.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -64.0 -12.21 36.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -88.66 1.91 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.49 28.6 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG11 ' CE1' ' A' ' 54' ' ' PHE . 22.9 m -146.26 140.87 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -118.05 153.61 51.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.1 5.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -53.34 97.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.99 105.12 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 t -148.05 120.94 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.23 89.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 77.31 3.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.72 123.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.51 128.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -115.83 169.85 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.56 -57.88 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.23 94.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -155.84 138.8 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.06 124.23 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.8 57.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.06 151.56 23.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -120.24 121.39 38.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.764 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.19 124.11 27.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.0 m-85 -128.11 145.17 51.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.39 133.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -73.76 106.91 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' TYR . 42.2 mt -59.81 -41.22 90.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -132.52 154.75 81.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.29 2.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -98.51 116.04 29.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -113.59 142.81 45.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.42 122.72 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.37 54.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -116.09 126.11 27.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.56 -39.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.81 135.8 38.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 47' ' ' ILE . 14.7 tp -79.05 117.66 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.4 p -92.45 129.88 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.3 p90 -153.03 164.86 37.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 p -108.32 172.36 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 126.01 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.31 -24.22 18.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.05 155.86 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.63 103.04 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.9 mt -93.9 121.56 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -93.19 102.24 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.97 143.11 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.1 p -133.7 -44.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 126.65 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttt -111.33 102.68 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.0 104.55 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.81 -111.71 2.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.23 -34.62 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.651 ' CE3' HD12 ' A' ' 53' ' ' ILE . 58.5 m95 -88.77 110.52 21.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 107.991 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.6 m0 -96.34 164.55 12.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -104.6 115.84 31.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -103.67 164.12 15.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -138.55 148.89 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' ASP . 84.3 mt -138.45 110.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.4 -77.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -146.26 21.83 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -100.44 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.06 137.44 23.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 179.92 179.86 48.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.651 HD12 ' CE3' ' A' ' 42' ' ' TRP . 3.2 pt -104.78 159.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.6 p90 -156.25 161.31 29.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 87.2 p -72.56 58.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -152.55 -43.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.6 m-85 -76.55 5.55 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.723 HG21 ' CE1' ' A' ' 54' ' ' PHE . 32.6 m -123.11 140.47 46.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -118.96 158.82 46.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.62 5.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 100.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.77 113.8 20.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.4 t -121.06 -59.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.82 88.49 1.96 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.44 41.07 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.33 155.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.49 122.87 21.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -111.5 122.15 47.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.77 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.0 117.62 21.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -128.41 148.39 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mm -107.87 134.75 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.81 113.11 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.92 -35.75 82.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -137.06 153.47 75.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.59 3.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -106.73 117.17 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 133.15 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.49 132.28 50.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -101.08 125.59 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -155.66 163.05 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -108.98 171.03 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 129.68 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.84 -29.74 10.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.83 154.04 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -102.98 106.89 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.18 128.03 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.5 tp -97.7 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.95 142.25 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.4 p -135.85 -45.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -111.44 124.31 52.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 20.8 mttp -115.26 102.88 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.19 102.97 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -130.17 20.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -84.34 -40.84 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -87.95 129.56 35.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 9.6 m0 -111.6 164.92 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -98.65 115.9 29.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 173.33 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -150.92 152.68 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 73.4 mt -138.63 110.54 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.19 -64.97 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.5 m-20 -161.76 28.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -104.53 165.95 10.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.16 146.42 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.06 176.65 39.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.57 158.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.627 ' CE1' HG11 ' A' ' 59' ' ' VAL . 18.5 p90 -161.0 161.88 23.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.518 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.99 117.34 4.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.6 p -62.64 -13.47 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.59 1.66 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -120.75 29.22 7.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 54' ' ' PHE . 15.9 m -146.03 143.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 10.1 pttt -122.1 157.99 56.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.3 121.43 37.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -78.81 136.38 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.6 m-85 -141.39 148.97 40.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.0 mm -104.45 125.34 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.41 120.99 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.6 mt -74.32 -51.92 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -125.06 156.72 68.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.94 107.67 2.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 57.7 t80 -102.14 121.87 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' CE1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -78.92 132.85 36.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.39 127.22 30.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.7 p -97.34 123.68 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 35.5 p90 -146.82 174.5 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.7 p -120.34 175.27 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.78 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.27 -27.76 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.3 mp0 -55.72 162.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.13 111.93 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -101.97 131.32 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.47 104.33 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -79.92 136.36 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -125.73 -42.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -122.55 135.59 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 16.4 mttp -117.16 101.84 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -103.37 103.39 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.5 -124.1 33.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -88.99 -38.19 14.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -88.55 107.99 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 107.974 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 16.1 m0 -91.19 162.95 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 m -100.67 115.69 30.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.69 166.72 21.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 145.17 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' ASP . 66.7 mt -138.49 110.55 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.01 -73.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' ILE . 21.9 t0 -149.78 21.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -104.93 159.15 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.21 150.96 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.71 179.94 43.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -101.88 159.36 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 p90 -161.16 161.15 24.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.526 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.95 122.73 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 30.6 p -72.13 -5.09 32.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -97.9 4.72 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.6 m-85 -118.92 5.14 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.605 HG21 ' CE1' ' A' ' 54' ' ' PHE . 33.9 m -132.48 142.35 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.6 pttt -117.25 158.92 43.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.93 5.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.1 ttpm? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -108.75 121.75 45.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.57 133.87 44.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -135.99 143.69 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.3 mm -100.62 137.13 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.07 120.12 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.89 -49.47 24.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.91 155.4 77.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.9 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -110.83 116.26 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 132.73 37.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 47' ' ' ILE . 14.6 tp -68.8 117.8 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -92.02 124.4 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.612 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.9 p90 -149.95 163.85 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 p -106.22 177.19 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.31 126.85 31.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.44 -19.67 36.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.17 150.32 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.53 103.36 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.612 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.7 mt -94.42 126.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.86 101.86 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -81.67 136.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 p -127.7 -43.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -113.12 119.21 37.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 40.2 mttt -115.11 102.86 10.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.13 107.73 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.03 -143.8 31.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.22 -44.1 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -87.46 132.24 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.1 m0 -113.99 163.6 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -95.21 115.96 28.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.16 167.15 20.31 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.76 146.79 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ASP . 97.9 mt -138.51 110.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.42 -72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.6 t0 -152.53 23.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -105.04 161.74 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.74 27.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.0 179.82 48.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -101.97 158.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 59' ' ' VAL . 19.6 p90 -161.22 161.75 23.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.57 -10.76 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -90.92 2.66 56.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.8 m-85 -119.43 24.38 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 54' ' ' PHE . 24.6 m -146.2 140.76 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 4.1 ptpt -117.71 158.16 46.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.38 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.0 ttpm? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -112.01 124.2 51.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.01 140.73 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.698 ' CD1' HG23 ' A' ' 59' ' ' VAL . 11.8 m-85 -141.1 147.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 62' ' ' LYS . 2.8 mm -101.53 121.16 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -67.44 105.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.79 -53.97 50.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.99 153.63 55.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.44 7.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 63.7 t80 -114.35 119.78 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 111.078 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.95 132.43 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.84 133.58 49.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -100.15 144.11 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 44.8 p90 -169.81 169.55 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -116.94 178.89 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.49 135.13 42.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.19 -21.3 44.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.69 141.74 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -96.68 110.31 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.531 HG12 HD11 ' A' ' 47' ' ' ILE . 2.7 mp -101.05 133.96 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -95.81 103.37 15.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 t -84.22 132.76 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -121.78 -40.02 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.31 55.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 23.1 mttp -117.24 102.35 9.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -102.76 105.17 15.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -118.29 14.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -92.39 -39.49 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -87.64 114.38 24.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 9.8 m0 -100.9 157.1 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.978 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -92.67 115.51 28.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.19 160.18 20.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.9 141.48 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.531 HD11 HG12 ' A' ' 33' ' ' ILE . 56.8 mt -138.37 110.69 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.61 -70.4 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.1 t70 -156.27 25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -108.8 156.99 19.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.98 159.55 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.84 -175.84 37.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -101.7 154.42 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 43' ' ' TRP . 28.4 p90 -161.73 162.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 127.55 10.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 59' ' ' VAL . 8.4 p -73.12 -43.91 61.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -61.65 -14.3 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 5.8 m-85 -91.93 7.0 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.698 HG23 ' CD1' ' A' ' 11' ' ' TYR . 4.5 m -138.48 143.59 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 pttt -111.01 154.48 43.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' VAL . 13.9 mt-10 -120.19 120.97 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 34' ' ' LEU . 5.5 mp0 -72.44 140.6 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.3 m-85 -140.4 145.61 37.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -100.14 131.99 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.15 118.1 9.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 60' ' ' LYS . 91.0 mt -80.01 -44.85 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -133.45 152.6 79.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 115.35 4.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -106.64 117.82 35.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.97 133.01 39.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.5 tp -63.04 119.28 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.6 p -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.68 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.3 p90 -153.58 167.85 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -113.8 167.09 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -64.32 128.57 36.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.52 -35.71 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.27 160.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -110.08 107.44 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.68 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.0 mt -100.37 136.42 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD13 ' HG3' ' A' ' 10' ' ' GLU . 30.5 tp -108.41 104.88 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLU . 47.1 t -82.74 141.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -44.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.72 121.25 44.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -108.38 102.97 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -105.94 104.89 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -120.81 24.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.32 -21.13 18.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -101.51 110.62 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.058 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 7.8 m0 -100.47 161.48 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -97.39 116.03 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.52 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.75 170.26 18.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -147.2 152.87 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.6 mt -138.31 110.72 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.77 -63.9 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 t70 -163.82 30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -102.66 166.1 10.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.24 136.92 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 175.5 175.15 42.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LEU . 19.5 pt -101.9 154.9 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.797 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HE2' HG21 ' A' ' 59' ' ' VAL . 29.1 p90 -155.38 162.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.56 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 18.0 p -71.29 59.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.85 -45.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -85.54 40.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 54' ' ' PHE . 30.8 m -146.63 140.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.689 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.3 pttt -118.67 155.63 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.6 5.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -117.67 124.19 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.39 135.81 36.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 12.8 m-85 -140.91 146.76 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 62' ' ' LYS . 6.2 mm -101.85 126.75 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.4 114.9 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.75 -57.86 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.93 156.97 53.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 114.45 4.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -110.55 122.09 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 136.11 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 47' ' ' ILE . 15.7 tp -72.69 119.73 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.9 p -90.22 127.46 36.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -154.28 160.24 41.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -106.32 175.52 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.26 125.25 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.97 -27.77 12.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.17 147.57 20.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.06 104.03 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -93.94 134.03 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 tp -99.11 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.6 138.4 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.7 p -129.99 -43.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 128.65 55.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 17.6 mttt -115.6 102.58 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.32 102.65 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.1 -138.59 31.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -30.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 0.813 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -97.23 112.16 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.012 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.0 m0 -96.95 163.47 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -96.73 115.71 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -102.63 168.34 18.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.5 m -144.4 150.36 37.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.447 HG13 HD21 ' A' ' 25' ' ' LEU . 96.8 mt -138.36 110.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 -67.83 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ILE . 24.0 m-20 -157.95 26.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' SER . 6.1 mtt180 -111.34 156.62 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -139.33 164.14 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.1 -177.66 33.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 pt -103.16 158.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.21 162.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.01 117.26 4.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 53.9 p -68.05 -8.63 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -92.59 -1.81 56.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 4.2 m-85 -110.69 10.57 22.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.9 148.74 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -120.97 158.51 52.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HD2' HD11 ' A' ' 12' ' ' ILE . 11.0 ttpt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -109.15 123.11 48.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' HG3' HD13 ' A' ' 34' ' ' LEU . 9.2 mp0 -71.23 118.96 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -126.63 142.9 51.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.3 mm -97.76 146.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -87.01 102.35 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 mt -57.98 -58.42 8.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.69 157.12 52.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.05 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -103.2 122.56 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -121.6 116.95 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 HD21 HG13 ' A' ' 47' ' ' ILE . 10.7 tp -53.48 106.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 24' ' ' ASP . 46.3 p -90.89 123.45 34.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' ILE . 30.4 p90 -146.49 178.55 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 5.2 p -122.98 173.71 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -66.49 131.25 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.27 -34.18 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.9 146.8 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -96.46 114.75 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.619 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 4.5 mt -103.82 124.41 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG3' ' A' ' 10' ' ' GLU . 46.2 tp -97.73 102.62 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.659 HG11 ' HE3' ' A' ' 38' ' ' LYS . 93.3 t -80.09 142.8 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -133.1 -44.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 129.88 56.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.659 ' HE3' HG11 ' A' ' 35' ' ' VAL . 37.5 mttp -117.2 102.45 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' TRP . 8.7 t0 -110.53 102.75 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.18 -135.57 24.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.87 -40.69 31.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' ASP . 23.5 m95 -86.84 132.36 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -116.9 148.66 41.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.6 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.47 165.55 18.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.98 143.13 49.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' PHE . 46.3 mt -139.29 110.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 49' ' ' ASP . . . 61.44 31.57 77.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 t70 85.34 23.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 47' ' ' ILE . 7.4 mtm180 -96.42 173.27 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.46 144.95 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 171.88 36.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 pt -101.93 155.06 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' HG11 ' A' ' 59' ' ' VAL . 25.9 p90 -161.32 162.61 21.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.3 p -65.93 -10.26 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -89.52 3.75 51.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.1 m-85 -122.81 30.12 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.5 m -146.28 140.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 1.3 pttt -117.27 153.74 50.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.8 ttpt . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.22 122.2 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -77.1 129.13 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -133.47 149.76 51.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -102.79 131.51 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.628 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.47 112.82 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' LYS . 74.8 mt -72.65 -49.16 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -129.81 152.94 80.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -108.83 116.62 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.4 134.6 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 129.89 41.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.5 p -110.61 130.01 55.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 33' ' ' ILE . 28.5 p90 -153.84 172.01 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -116.73 165.47 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 124.45 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.09 -32.13 6.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.23 159.25 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.23 103.71 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.628 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.5 mt -95.18 128.29 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' A' ' 10' ' ' GLU . 20.1 tp -103.67 102.21 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.93 132.66 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -119.7 -40.85 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 121.77 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -103.75 103.01 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.14 103.46 15.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.9 -109.64 0.9 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -96.16 -35.73 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -86.95 108.05 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 28.9 m0 -94.74 154.48 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.97 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.19 115.62 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.89 169.73 22.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.83 145.99 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.9 mt -138.5 110.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.05 -77.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.7 t0 -143.16 19.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -96.89 155.79 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 139.31 24.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.64 176.83 44.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 pt -101.81 154.81 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' HE2' HG21 ' A' ' 59' ' ' VAL . 32.0 p90 -154.06 162.56 26.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.82 5.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 56.8 p -72.99 58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -141.36 -45.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -85.84 40.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.612 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.2 m -146.35 140.51 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.6 pttt -120.8 155.9 56.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -113.1 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.61 120.59 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.4 m-85 -130.21 148.71 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -105.33 137.06 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 123.71 24.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD23 ' HE2' ' A' ' 60' ' ' LYS . 18.1 mt -74.73 -48.42 25.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -129.42 158.39 73.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.96 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 66.2 t80 -109.37 116.37 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.49 132.34 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 p -90.09 124.27 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 20.4 p90 -147.77 175.48 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.2 p -121.28 171.33 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 125.56 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.87 -21.25 30.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 157.6 12.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.734 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.22 105.75 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.06 125.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.87 107.0 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.4 t -87.65 122.8 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -114.41 -20.42 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -137.04 125.97 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 35.1 mttp -117.19 102.4 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.96 105.66 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.04 -139.72 28.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.38 -44.38 29.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -86.8 128.48 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 14.7 m0 -110.23 163.38 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -95.48 115.8 27.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.72 172.67 19.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -148.68 156.55 42.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 51.7 mt -138.73 110.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.28 -65.73 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 29.2 m-20 -161.82 28.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -105.56 169.3 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.16 145.54 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.89 175.18 39.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -102.16 158.18 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 59' ' ' VAL . 23.9 p90 -161.13 162.22 22.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 p -64.88 -11.28 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -87.01 3.43 45.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.4 m-85 -123.14 29.24 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 54' ' ' PHE . 13.8 m -146.24 143.71 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HE2' HD23 ' A' ' 14' ' ' LEU . 1.8 ptpt -122.69 158.44 56.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.74 5.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.8 ttpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -108.83 122.59 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HG3' HD13 ' A' ' 34' ' ' LEU . 2.1 mp0 -76.87 117.18 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.4 m-85 -123.9 144.4 49.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' HE3' ' A' ' 62' ' ' LYS . 5.4 mm -102.75 141.41 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 110.25 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 60' ' ' LYS . 39.0 mt -63.83 -44.44 93.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.86 154.38 81.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 113.18 3.73 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.519 1.8 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -108.47 116.76 32.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.75 133.35 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.21 116.24 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -92.78 124.85 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -150.8 173.26 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -111.89 -177.95 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.62 126.97 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.56 -21.32 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.44 159.07 6.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -107.61 101.85 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.69 123.8 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 10' ' ' GLU . 25.5 tp -95.2 102.49 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.4 t -81.38 133.7 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -122.89 -40.03 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 124.06 46.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 54.3 mttt -117.16 102.79 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -110.79 104.02 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.76 25.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.53 -41.71 26.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' ASP . 20.2 m95 -86.93 127.38 35.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.3 m0 -113.97 161.84 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.01 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -95.17 115.59 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.86 169.51 16.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -144.33 153.7 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 68.4 mt -138.39 110.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.46 -65.41 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 9.3 m-20 -162.87 29.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -107.24 167.12 10.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.12 143.34 28.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.89 179.34 45.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.6 pt -103.39 156.47 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.88 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.4 p90 -161.29 162.56 21.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 59' ' ' VAL . 50.2 p -60.7 -15.96 34.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -83.42 -1.13 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.8 m-85 -118.36 31.89 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -145.7 140.74 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.478 ' HB3' HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -116.66 154.04 49.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.01 5.48 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -115.08 121.23 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -74.45 136.34 42.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.7 m-85 -139.94 152.94 46.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -109.08 134.68 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.82 7.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' TYR . 83.0 mt -66.41 -46.46 76.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.23 155.33 81.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -99.56 115.98 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.85 126.92 31.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 45' ' ' GLY . 11.0 tp -71.37 113.83 8.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -90.41 135.31 33.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CG ' HD11 ' A' ' 33' ' ' ILE . 13.4 p90 -154.12 -174.12 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -133.14 156.63 47.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.66 129.65 33.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.14 -26.7 21.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.61 151.78 28.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.76 103.55 14.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.57 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.0 mt -93.94 123.93 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.14 107.36 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG22 ' CE2' ' A' ' 54' ' ' PHE . 21.7 t -83.89 143.13 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -133.12 -44.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.46 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 27.1 mttp -107.67 102.82 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.43 103.56 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.23 -121.17 25.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -93.1 -23.05 18.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -98.98 107.97 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.7 m0 -95.63 164.68 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -102.04 115.81 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.55 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -105.65 169.05 15.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -145.78 154.17 41.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.804 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' ASP . 53.8 mt -138.49 110.83 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 -71.06 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.4 m-20 -153.21 25.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -102.62 166.86 10.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.12 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.95 178.7 40.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 pt -104.42 157.87 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.9 p90 -153.85 161.23 29.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.72 8.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 97.3 p -72.6 58.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -152.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.0 m-85 -75.51 3.64 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.6 m -123.25 140.7 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.7 pttt -119.39 158.6 48.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.82 5.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.7 ttpt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.3 123.03 47.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -81.21 119.85 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.9 m-85 -128.35 149.16 50.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -105.72 139.45 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 116.82 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.56 -40.89 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.09 154.26 77.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.758 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -104.66 121.07 42.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.28 118.17 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 47' ' ' ILE . 13.2 tp -66.74 104.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.7 p -84.11 127.99 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 33' ' ' ILE . 34.4 p90 -153.65 172.4 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -118.0 168.22 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 126.14 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 -28.39 9.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.15 151.71 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.93 107.96 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 27' ' ' PHE . 11.5 mt -99.26 129.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD13 ' HG3' ' A' ' 10' ' ' GLU . 32.8 tp -100.52 101.83 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.88 140.7 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -133.18 -44.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -111.02 122.56 48.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -114.19 102.96 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.02 102.86 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.64 -135.52 23.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.57 -40.07 30.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.527 ' CE3' HD12 ' A' ' 53' ' ' ILE . 27.4 m95 -87.21 132.45 33.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -115.98 156.29 26.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -89.82 115.61 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.43 168.53 17.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -143.71 151.31 39.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 25' ' ' LEU . 93.1 mt -138.66 110.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.88 -70.82 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.8 m-20 -155.21 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -110.13 145.97 36.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 138.41 51.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.56 179.54 46.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.527 HD12 ' CE3' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -101.8 157.33 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 0.719 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.85 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.8 p90 -161.19 162.2 22.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.56 -14.77 61.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -85.37 -0.58 55.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.477 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.3 m-85 -118.25 30.17 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.85 HG11 ' CE1' ' A' ' 54' ' ' PHE . 17.2 m -145.8 141.37 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.5 pttt -118.92 154.13 52.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.78 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.6 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.25 120.78 43.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.59 119.9 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -126.55 144.45 50.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.5 mm -101.23 137.38 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.79 107.48 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 70.8 mt -61.71 -52.28 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 3.1 m-85 -129.2 157.49 75.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 55' ' ' PRO . 65.5 t80 -112.24 116.19 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 141.1 37.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 47' ' ' ILE . 15.2 tp -77.78 110.02 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -86.47 127.67 34.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.5 p90 -149.55 160.36 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -108.22 171.33 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -66.01 128.92 37.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.61 -28.22 14.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.0 154.0 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 104.53 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.655 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.8 mt -93.94 122.97 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.64 106.02 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG11 ' HE3' ' A' ' 38' ' ' LYS . 32.0 t -79.94 141.5 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.34 -44.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 130.59 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.567 ' HE3' HG11 ' A' ' 35' ' ' VAL . 14.9 mttp -113.3 102.28 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -101.49 102.86 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.4 -121.31 25.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.92 -27.23 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -95.72 109.05 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.442 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 15.1 m0 -94.26 165.23 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -104.32 115.46 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -102.99 169.95 19.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -145.0 149.93 36.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ASP . 61.7 mt -138.56 110.51 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.5 -76.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.4 m-20 -145.82 20.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -104.38 144.89 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.7 44.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.96 -179.41 48.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.7 pt -101.79 159.94 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -160.57 162.87 22.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.6 p -70.3 58.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -145.65 -42.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.62 36.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 18.8 m -146.69 140.76 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.3 pttt -120.78 154.5 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.6 ttpt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -118.39 124.01 46.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -74.63 136.72 41.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -141.12 147.4 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.2 mm -103.57 131.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 117.12 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 60' ' ' LYS . 20.9 mt -75.69 -51.43 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 4.4 m-85 -125.41 154.27 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 81.9 t80 -101.49 115.83 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.78 136.39 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 47' ' ' ILE . 14.4 tp -80.35 108.99 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -78.89 136.11 37.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 33' ' ' ILE . 12.7 p90 -158.06 176.57 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.43 170.35 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.84 124.54 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.07 -31.91 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -53.15 157.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -108.88 105.51 15.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CG ' ' A' ' 27' ' ' PHE . 7.6 mt -93.87 127.7 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.95 107.0 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.03 125.09 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 p -113.74 -23.07 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -136.87 130.89 32.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -115.05 102.34 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -100.43 103.88 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.66 -117.32 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.05 -30.23 15.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -92.85 108.92 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 13.0 m0 -94.6 164.52 12.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -106.0 115.49 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.528 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -101.91 171.02 21.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -144.82 149.52 35.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HD21 ' A' ' 25' ' ' LEU . 95.9 mt -138.63 110.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.85 -75.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -147.65 21.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -103.27 151.99 22.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.06 136.94 38.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.24 177.38 48.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 pt -102.53 157.18 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.3 p90 -153.31 161.26 29.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.58 8.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 77.2 p -73.48 58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -150.85 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 5.1 m-85 -72.47 -0.66 13.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 54' ' ' PHE . 28.5 m -123.17 140.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 14' ' ' LEU . 1.5 pttt -118.21 160.21 40.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.34 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 9.0 ttpt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -118.01 121.57 40.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.46 120.51 23.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.5 m-85 -129.31 146.08 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.27 136.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . . . -79.9 105.22 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.99 -45.6 90.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.97 154.68 81.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.31 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -107.68 118.03 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 53' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -129.17 116.54 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.71 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.6 tp -69.38 102.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -80.17 127.48 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.732 ' CG ' HD11 ' A' ' 33' ' ' ILE . 18.7 p90 -151.92 167.69 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -112.22 174.73 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -69.29 130.7 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.05 -30.09 10.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 1.4 mp0 -55.05 142.91 28.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.15 122.07 33.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.8 mt -111.58 132.93 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -100.69 101.9 12.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.18 138.71 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -130.46 -43.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.8 127.78 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 19.5 mttp -116.39 102.55 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.82 103.92 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.51 -122.05 26.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.7 -42.3 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -86.71 117.0 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 12.6 m0 -101.31 162.14 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 m -97.88 115.77 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.71 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -96.94 172.81 28.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -148.43 144.4 27.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.495 HG13 HD21 ' A' ' 25' ' ' LEU . 65.0 mt -138.38 110.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.41 -73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -150.5 23.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' SER . 16.8 mtm180 -107.08 151.73 24.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.91 142.73 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.31 -176.47 47.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 23' ' ' GLY . 1.1 pp -101.78 158.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 13.0 p90 -161.42 161.64 22.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -68.76 -7.79 37.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -94.93 4.81 53.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.79 16.47 11.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.97 149.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 2.6 pttt -126.91 158.33 68.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -120.33 121.63 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.83 139.55 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -140.99 147.0 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -102.99 118.85 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 116.47 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.81 -56.44 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -118.56 155.53 52.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.94 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 84.7 t80 -102.76 115.9 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 130.97 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 47' ' ' ILE . 20.4 tp -67.21 125.46 26.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -93.06 125.98 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.555 ' CG ' HD11 ' A' ' 33' ' ' ILE . 30.4 p90 -152.06 178.73 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 p -121.32 -169.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 134.58 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.3 -28.63 11.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.63 149.01 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.13 104.81 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.3 mt -94.78 132.58 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.68 102.03 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 t -85.1 130.79 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.0 p -119.19 -38.29 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.5 130.88 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -116.4 102.35 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -101.85 103.83 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 -119.22 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.64 -36.08 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.33 111.2 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 12.8 m0 -95.9 161.29 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 m -99.54 115.76 30.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.352 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.49 168.92 23.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 143.89 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.2 mt -138.38 110.56 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.85 -69.07 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' ILE . 60.6 t0 -157.65 27.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -110.24 157.98 18.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.57 155.74 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.26 -174.66 41.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -101.87 158.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.1 p90 -161.24 162.22 22.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.65 5.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 11.7 p -74.15 -2.96 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.0 p-10 -98.45 -1.55 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -111.44 3.82 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -129.55 143.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.8 pttt -113.16 155.87 43.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.3 ttpt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -111.01 121.07 44.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -77.47 127.81 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.8 m-85 -136.07 153.06 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -110.86 130.12 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 111.7 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.95 -44.16 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -131.34 156.39 80.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 73.5 t80 -105.16 116.2 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -77.24 128.62 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.339 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 45' ' ' GLY . 15.0 tp -74.79 109.22 8.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -82.52 132.73 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 32.4 p90 -156.3 178.15 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.3 p -124.6 169.35 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 125.15 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.82 -27.38 11.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -56.67 152.68 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.62 101.5 11.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.416 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.1 mt -95.07 131.33 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.56 106.35 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -81.15 142.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 p -135.04 -45.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.38 125.08 53.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 36.7 mttp -115.39 102.73 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 102.9 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 -139.24 26.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.96 -41.82 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.64 130.07 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.2 m0 -111.53 161.88 15.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -92.21 115.84 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.51 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -104.84 166.41 14.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -138.34 153.55 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . 80.1 mt -138.7 110.11 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 -65.12 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -161.38 28.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -110.82 167.46 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -144.78 164.22 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -174.24 34.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -107.67 159.21 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -161.35 162.04 22.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 119.83 5.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.9 p -68.43 -8.06 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.91 3.51 55.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.9 m-85 -119.98 17.82 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.74 141.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -116.73 155.28 49.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.3 ttpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -114.59 123.6 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.27 137.26 38.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -141.24 148.63 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mm -103.6 123.98 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.47 117.86 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 mt -73.91 -47.8 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -127.98 155.65 77.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 80.7 t80 -108.4 119.19 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.69 122.19 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 HD22 ' C ' ' A' ' 45' ' ' GLY . 19.9 tp -64.6 146.31 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -114.75 125.61 53.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 33' ' ' ILE . 43.3 p90 -154.23 172.06 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.0 p -118.07 178.09 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.29 132.39 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.99 -24.83 30.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.14 162.16 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.24 105.86 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.4 mt -94.62 130.68 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 tp -96.7 101.96 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.1 130.53 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.6 p -116.4 -33.14 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -132.48 137.02 47.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 18.1 mttp -115.47 101.88 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -100.17 102.9 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.52 -119.69 16.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -89.0 -38.32 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -87.06 109.87 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 22.6 m0 -93.62 154.65 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.036 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -93.25 115.79 28.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.06 164.09 15.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t -140.09 146.04 38.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.077 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ASP . 70.4 mt -138.79 110.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.55 -74.82 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.2 t70 -147.61 22.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -106.42 147.85 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.85 142.95 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.38 -171.42 44.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.5 pt -104.49 161.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 59' ' ' VAL . 10.6 p90 -161.1 161.2 24.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.03 120.06 5.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -70.08 -6.78 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 10.9 t30 -95.95 3.72 53.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.1 m-85 -117.67 1.63 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.2 m -129.61 141.3 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.5 pttt -116.87 159.22 41.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.68 5.35 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 38' ' ' LYS . 2.2 mp0 -109.33 121.13 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.42 132.86 41.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.9 m-85 -138.54 146.9 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.1 mm -102.19 148.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.96 111.19 21.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 60' ' ' LYS . 23.9 mt -68.12 -43.84 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.98 152.8 81.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 112.54 3.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -106.58 115.99 31.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.47 130.28 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.411 HD21 HG13 ' A' ' 47' ' ' ILE . 16.4 tp -75.53 122.21 23.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.6 p -92.53 125.45 37.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CD1' HD11 ' A' ' 33' ' ' ILE . 37.2 p90 -150.53 165.4 33.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 6.0 p -113.26 174.52 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -70.77 130.11 40.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.87 -28.08 16.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.03 160.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.93 103.17 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 27' ' ' PHE . 10.3 mt -94.65 123.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.2 tp -93.88 102.82 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.26 139.51 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.9 p -130.56 -43.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -113.73 126.11 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 28.1 mttp -115.61 102.71 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.28 103.02 11.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.09 -135.04 22.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.94 -43.59 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -87.54 130.02 34.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 8.5 m0 -111.27 164.68 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 52' ' ' GLY . 3.4 m -96.47 115.65 27.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.07 172.34 29.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -147.42 145.32 29.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 86.8 mt -138.34 110.67 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.1 -71.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.3 m-20 -154.21 24.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 5.8 mtt180 -109.74 155.16 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 164.26 30.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . . . 159.96 -172.39 36.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.84 157.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE1' HG11 ' A' ' 59' ' ' VAL . 19.7 p90 -161.21 162.15 22.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -64.0 -12.21 36.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -88.66 1.91 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.49 28.6 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.464 HG11 ' CE1' ' A' ' 54' ' ' PHE . 22.9 m -146.26 140.87 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -118.05 153.61 51.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.1 5.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -120.24 121.39 38.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.764 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.19 124.11 27.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.0 m-85 -128.11 145.17 51.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.39 133.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -73.76 106.91 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' TYR . 42.2 mt -59.81 -41.22 90.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -132.52 154.75 81.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.29 2.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -98.51 116.04 29.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.992 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.81 135.8 38.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 47' ' ' ILE . 14.7 tp -79.05 117.66 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.4 p -92.45 129.88 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.3 p90 -153.03 164.86 37.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 p -108.32 172.36 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 126.01 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.31 -24.22 18.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.05 155.86 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.63 103.04 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.9 mt -93.9 121.56 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -93.19 102.24 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.97 143.11 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.1 p -133.7 -44.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 126.65 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttt -111.33 102.68 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.0 104.55 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.81 -111.71 2.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.23 -34.62 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.651 ' CE3' HD12 ' A' ' 53' ' ' ILE . 58.5 m95 -88.77 110.52 21.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 107.991 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.6 m0 -96.34 164.55 12.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -104.6 115.84 31.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.408 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -103.67 164.12 15.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -138.55 148.89 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' ASP . 84.3 mt -138.45 110.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.4 -77.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -146.26 21.83 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -100.44 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.06 137.44 23.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 179.92 179.86 48.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.651 HD12 ' CE3' ' A' ' 42' ' ' TRP . 3.2 pt -104.78 159.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.6 p90 -156.25 161.31 29.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 87.2 p -72.56 58.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -152.55 -43.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.6 m-85 -76.55 5.55 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.723 HG21 ' CE1' ' A' ' 54' ' ' PHE . 32.6 m -123.11 140.47 46.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -118.96 158.82 46.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.62 5.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t 61.7 166.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 0.78 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.33 101.33 2.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.87 128.09 9.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.81 130.5 39.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 169.37 20.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.764 ' O ' HD11 ' A' ' 34' ' ' LEU . . . 173.96 138.23 2.63 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.6 -170.43 0.22 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -111.5 122.15 47.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.77 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.0 117.62 21.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -128.41 148.39 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mm -107.87 134.75 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.81 113.11 9.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.92 -35.75 82.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -137.06 153.47 75.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.59 3.83 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -106.73 117.17 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 p -113.91 113.83 25.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.02 131.08 51.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.982 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.4 m -71.53 -20.99 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -90.82 140.13 26.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.41 8.95 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 110.991 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.61 -50.25 5.75 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 133.15 37.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 0.792 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.9 tp -63.49 132.28 50.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.8 p -101.08 125.59 47.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -155.66 163.05 40.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 p -108.98 171.03 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 129.68 40.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.84 -29.74 10.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.83 154.04 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -102.98 106.89 17.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mt -99.18 128.03 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.764 HD11 ' O ' ' A' ' 7' ' ' GLY . 36.5 tp -97.7 104.96 17.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.95 142.25 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.4 p -135.85 -45.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -111.44 124.31 52.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 20.8 mttp -115.26 102.88 10.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.19 102.97 11.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -130.17 20.29 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -84.34 -40.84 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -87.95 129.56 35.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 9.6 m0 -111.6 164.92 12.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -98.65 115.9 29.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 173.33 24.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -150.92 152.68 33.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.757 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 73.4 mt -138.63 110.54 5.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.19 -64.97 0.23 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.5 m-20 -161.76 28.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -104.53 165.95 10.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.16 146.42 29.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.06 176.65 39.83 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 111.049 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 22.9 pt -103.57 158.82 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.627 ' CE1' HG11 ' A' ' 59' ' ' VAL . 18.5 p90 -161.0 161.88 23.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.518 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.99 117.34 4.88 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.6 p -62.64 -13.47 32.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -87.59 1.66 53.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.518 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 7.1 m-85 -120.75 29.22 7.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.627 HG11 ' CE1' ' A' ' 54' ' ' PHE . 15.9 m -146.03 143.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 10.1 pttt -122.1 157.99 56.49 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.26 99.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -95.39 120.65 36.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 23.0 t -127.52 132.38 49.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -57.6 157.15 15.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 67.68 5.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.468 1.773 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.2 p -45.62 130.02 8.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.14 93.12 2.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 42.3 90.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 t -137.58 130.63 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.49 -100.93 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 47.83 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -125.43 101.92 7.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.85 -119.39 4.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.464 1.103 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.28 159.3 35.27 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.3 121.43 37.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -78.81 136.38 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.6 m-85 -141.39 148.97 40.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.411 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.0 mm -104.45 125.34 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.41 120.99 14.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.6 mt -74.32 -51.92 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -125.06 156.72 68.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.6 Cg_endo -74.94 107.67 2.54 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.042 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 57.7 t80 -102.14 121.87 43.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -116.83 141.71 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' H ' HG22 ' A' ' 26' ' ' THR . 1.4 m -134.72 129.18 34.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.2 -32.72 57.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -81.6 141.09 48.16 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.12 9.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.91 -52.02 6.64 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' OD1' ' CE1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -78.92 132.85 36.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.4 tp -65.39 127.22 30.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 19' ' ' SER . 36.7 p -97.34 123.68 41.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 35.5 p90 -146.82 174.5 11.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.7 p -120.34 175.27 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 124.78 27.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.27 -27.76 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 2.3 mp0 -55.72 162.32 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -114.13 111.93 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.5 mt -101.97 131.32 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.281 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.47 104.33 16.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.3 t -79.92 136.36 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.4 p -125.73 -42.44 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -122.55 135.59 54.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 16.4 mttp -117.16 101.84 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -103.37 103.39 13.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.5 -124.1 33.8 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -88.99 -38.19 14.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 0.78 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -88.55 107.99 19.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 107.974 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.522 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 16.1 m0 -91.19 162.95 14.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.5 m -100.67 115.69 30.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.69 166.72 21.73 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.1 145.17 32.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' ASP . 66.7 mt -138.49 110.55 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.01 -73.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' ILE . 21.9 t0 -149.78 21.36 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 0.736 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -104.93 159.15 16.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.21 150.96 35.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.71 179.94 43.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -101.88 159.36 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 59' ' ' VAL . 13.1 p90 -161.16 161.15 24.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.526 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.95 122.73 7.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.449 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 30.6 p -72.13 -5.09 32.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -97.9 4.72 49.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.526 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.6 m-85 -118.92 5.14 11.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 111.073 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.605 HG21 ' CE1' ' A' ' 54' ' ' PHE . 33.9 m -132.48 142.35 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.6 pttt -117.25 158.92 43.37 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 118.93 5.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.1 ttpm? -54.85 98.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.27 163.07 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t 72.31 -65.04 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.049 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.79 77.88 0.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.112 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.5 t -50.16 143.88 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.95 79.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.444 1.09 . . . . 0.0 111.018 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.96 95.13 10.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.22 125.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.71 -147.64 11.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -142.23 152.6 43.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -165.04 110.41 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.55 54.53 0.6 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.22 143.63 14.9 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -108.75 121.75 45.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.57 133.87 44.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.0 m-85 -135.99 143.69 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.402 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.3 mm -100.62 137.13 29.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.07 120.12 22.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.89 -49.47 24.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -127.91 155.4 77.66 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.9 4.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -110.83 116.26 30.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -111.77 130.37 55.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.673 ' H ' HG22 ' A' ' 26' ' ' THR . 0.8 OUTLIER -115.89 137.49 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.3 m -78.91 -4.53 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -109.14 142.01 24.67 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 0.32 9.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.77 -45.44 6.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 132.73 37.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 47' ' ' ILE . 14.6 tp -68.8 117.8 10.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.673 HG22 ' H ' ' A' ' 19' ' ' SER . 43.8 p -92.02 124.4 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.612 ' CG ' HD11 ' A' ' 33' ' ' ILE . 10.9 p90 -149.95 163.85 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.975 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.7 p -106.22 177.19 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.31 126.85 31.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.44 -19.67 36.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.17 150.32 34.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.53 103.36 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.612 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.7 mt -94.42 126.87 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.8 tp -96.86 101.86 13.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -81.67 136.72 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 p -127.7 -43.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -113.12 119.21 37.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 40.2 mttt -115.11 102.86 10.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -117.13 107.73 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.03 -143.8 31.38 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.22 -44.1 48.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 0.759 . . . . 0.0 110.3 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -87.46 132.24 34.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.468 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.1 m0 -113.99 163.6 14.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -95.21 115.96 28.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.122 . . . . 0.0 110.425 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.16 167.15 20.31 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.76 146.79 36.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 49' ' ' ASP . 97.9 mt -138.51 110.64 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.42 -72.99 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.6 t0 -152.53 23.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -105.04 161.74 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.74 27.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.032 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.0 179.82 48.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 pt -101.97 158.46 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' HE1' HG21 ' A' ' 59' ' ' VAL . 19.6 p90 -161.22 161.75 23.0 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 117.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.491 1.785 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.57 -10.76 38.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.039 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -90.92 2.66 56.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.8 m-85 -119.43 24.38 10.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG21 ' HE1' ' A' ' 54' ' ' PHE . 24.6 m -146.2 140.76 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 4.1 ptpt -117.71 158.16 46.17 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.38 5.63 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.52 1.8 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 2.0 ttpm? -53.45 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t0 58.54 102.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.4 t -74.92 119.55 19.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.02 157.22 8.4 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.06 96.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m 51.63 82.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -154.14 162.8 40.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 123.56 33.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.92 -131.1 3.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -148.28 108.59 4.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -146.13 81.3 1.59 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.86 93.15 0.71 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.61 170.34 23.18 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -112.01 124.2 51.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -81.01 140.73 35.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.698 ' CD1' HG23 ' A' ' 59' ' ' VAL . 11.8 m-85 -141.1 147.32 38.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.406 HD11 ' HD2' ' A' ' 62' ' ' LYS . 2.8 mm -101.53 121.16 52.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -67.44 105.1 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.79 -53.97 50.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.99 153.63 55.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 123.44 7.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 63.7 t80 -114.35 119.78 38.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 111.078 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 m -122.53 126.17 47.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.605 ' H ' HG22 ' A' ' 26' ' ' THR . 0.4 OUTLIER -117.23 146.01 43.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 20' ' ' VAL . 5.7 m -83.92 -15.28 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -95.03 139.83 22.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 0.3 9.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.68 -45.36 7.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.95 132.43 35.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -67.84 133.58 49.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.605 HG22 ' H ' ' A' ' 19' ' ' SER . 24.8 p -100.15 144.11 29.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 17' ' ' TYR . 44.8 p90 -169.81 169.55 8.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 p -116.94 178.89 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.49 135.13 42.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.19 -21.3 44.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.69 141.74 58.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -96.68 110.31 22.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.531 HG12 HD11 ' A' ' 47' ' ' ILE . 2.7 mp -101.05 133.96 42.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.7 tp -95.81 103.37 15.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.1 t -84.22 132.76 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.8 p -121.78 -40.02 2.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 130.31 55.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 23.1 mttp -117.24 102.35 9.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -102.76 105.17 15.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -118.29 14.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -92.39 -39.49 11.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -87.64 114.38 24.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 9.8 m0 -100.9 157.1 16.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.978 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.4 m -92.67 115.51 28.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.43 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.19 160.18 20.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.9 141.48 42.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.997 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.531 HD11 HG12 ' A' ' 33' ' ' ILE . 56.8 mt -138.37 110.69 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.61 -70.4 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.1 t70 -156.27 25.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -108.8 156.99 19.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.98 159.55 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 160.84 -175.84 37.49 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.8 pt -101.7 154.42 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 43' ' ' TRP . 28.4 p90 -161.73 162.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.52 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 127.55 10.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.579 ' O ' HG22 ' A' ' 59' ' ' VAL . 8.4 p -73.12 -43.91 61.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -61.65 -14.3 29.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 5.8 m-85 -91.93 7.0 44.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.698 HG23 ' CD1' ' A' ' 11' ' ' TYR . 4.5 m -138.48 143.59 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 pttt -111.01 154.48 43.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.45 1.763 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -51.9 97.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -80.96 154.01 27.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.78 164.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.063 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -149.89 97.25 0.18 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 118.9 5.42 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.46 -37.35 17.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 t 60.09 68.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.946 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.94 -58.35 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 54.92 82.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.44 -173.05 15.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.17 168.86 13.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.999 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -97.35 125.47 41.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.52 76.72 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.69 156.02 26.55 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' VAL . 13.9 mt-10 -120.19 120.97 37.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 34' ' ' LEU . 5.5 mp0 -72.44 140.6 48.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.3 m-85 -140.4 145.61 37.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -100.14 131.99 46.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.15 118.1 9.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 60' ' ' LYS . 91.0 mt -80.01 -44.85 19.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -133.45 152.6 79.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 115.35 4.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 23.5 t80 -106.64 117.82 35.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -107.58 115.4 30.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.683 ' H ' HG22 ' A' ' 26' ' ' THR . 81.0 p -100.88 132.2 46.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.2 m -68.38 -23.88 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 3.3 mm-40 -97.8 139.13 21.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 18.4 Cg_endo -75.01 0.1 9.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.497 1.788 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.14 -43.15 9.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.97 133.01 39.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.52 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.5 tp -63.04 119.28 9.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.683 HG22 ' H ' ' A' ' 19' ' ' SER . 3.6 p -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.68 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.3 p90 -153.58 167.85 28.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -113.8 167.09 10.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -64.32 128.57 36.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.52 -35.71 4.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -49.27 160.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 0.787 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -110.08 107.44 17.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.68 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.0 mt -100.37 136.42 31.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD13 ' HG3' ' A' ' 10' ' ' GLU . 30.5 tp -108.41 104.88 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLU . 47.1 t -82.74 141.2 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -132.42 -44.93 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.72 121.25 44.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -108.38 102.97 12.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -105.94 104.89 14.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 60.14 -120.81 24.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -95.32 -21.13 18.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -101.51 110.62 22.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 108.058 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 7.8 m0 -100.47 161.48 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -97.39 116.03 28.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 110.369 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.52 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.75 170.26 18.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -147.2 152.87 39.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 49' ' ' ASP . 65.6 mt -138.31 110.72 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.77 -63.9 0.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.5 t70 -163.82 30.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -102.66 166.1 10.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.24 136.92 22.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 175.5 175.15 42.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' LEU . 19.5 pt -101.9 154.9 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 0.797 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' HE2' HG21 ' A' ' 59' ' ' VAL . 29.1 p90 -155.38 162.86 26.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 115.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.488 1.783 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.56 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 18.0 p -71.29 59.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.85 -45.47 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -85.54 40.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.118 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 54' ' ' PHE . 30.8 m -146.63 140.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.689 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.3 pttt -118.67 155.63 52.26 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 119.6 5.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.08 98.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 69.44 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -175.92 117.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.029 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.57 119.74 0.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 149.87 37.45 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.09 -58.21 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.11 148.98 42.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.978 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.24 166.28 25.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -114.54 155.9 25.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.9 138.49 2.68 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -168.51 90.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.13 124.66 2.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.13 -84.57 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.05 143.32 25.11 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -117.67 124.19 47.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -80.39 135.81 36.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.451 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 12.8 m-85 -140.91 146.76 37.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.483 HD11 ' HD2' ' A' ' 62' ' ' LYS . 6.2 mm -101.85 126.75 55.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.4 114.9 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.9 mt -67.75 -57.86 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -119.93 156.97 53.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 114.45 4.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -110.55 122.09 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.1 p -121.16 128.08 52.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.541 ' H ' HG22 ' A' ' 26' ' ' THR . 33.7 t -115.18 150.72 35.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.8 m -94.63 5.07 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -115.83 141.35 27.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.27 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 0.2 9.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.68 -43.82 7.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.546 1.154 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.36 136.11 34.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 HD21 HG13 ' A' ' 47' ' ' ILE . 15.7 tp -72.69 119.73 17.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.541 HG22 ' H ' ' A' ' 19' ' ' SER . 42.9 p -90.22 127.46 36.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -154.28 160.24 41.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -106.32 175.52 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -72.26 125.25 26.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.97 -27.77 12.33 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.17 147.57 20.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.274 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -100.06 104.03 15.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -93.94 134.03 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 tp -99.11 107.67 20.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.9 t -84.6 138.4 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 78.7 p -129.99 -43.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.93 128.65 55.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 17.6 mttt -115.6 102.58 9.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.32 102.65 11.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.1 -138.59 31.26 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.56 -30.65 37.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.583 0.813 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -97.23 112.16 24.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.012 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 9.0 m0 -96.95 163.47 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -96.73 115.71 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.363 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -102.63 168.34 18.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.5 m -144.4 150.36 37.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.97 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.447 HG13 HD21 ' A' ' 25' ' ' LEU . 96.8 mt -138.36 110.58 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.67 -67.83 0.17 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' ILE . 24.0 m-20 -157.95 26.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' SER . 6.1 mtt180 -111.34 156.62 21.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -139.33 164.14 30.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.1 -177.66 33.86 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.8 pt -103.16 158.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.21 162.29 22.2 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.01 117.26 4.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 53.9 p -68.05 -8.63 39.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -92.59 -1.81 56.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 4.2 m-85 -110.69 10.57 22.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 m -136.9 148.74 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -120.97 158.51 52.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 114.41 4.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HD2' HD11 ' A' ' 12' ' ' ILE . 11.0 ttpt -50.09 96.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.81 117.13 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 t -146.79 101.88 3.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.82 -122.72 1.09 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.67 9.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.37 84.62 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.6 t -130.92 -58.03 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.439 1.087 . . . . 0.0 110.946 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -128.5 133.58 48.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.19 121.08 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.975 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.48 -169.86 42.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.71 139.82 17.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.033 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.69 102.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.95 -108.25 0.72 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.82 148.62 20.27 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -109.15 123.11 48.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' HG3' HD13 ' A' ' 34' ' ' LEU . 9.2 mp0 -71.23 118.96 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -126.63 142.9 51.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 3.3 mm -97.76 146.89 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.619 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -87.01 102.35 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 mt -57.98 -58.42 8.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -119.69 157.12 52.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.05 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -103.2 122.56 44.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 p -123.21 116.43 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.43 178.52 4.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.3 m -111.05 -17.61 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -92.55 138.59 23.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.46 8.85 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.6 13.5 58.05 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.52 1.138 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.612 ' O ' HG23 ' A' ' 26' ' ' THR . 0.9 OUTLIER -121.6 116.95 25.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD21 HG13 ' A' ' 47' ' ' ILE . 10.7 tp -53.48 106.12 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 24' ' ' ASP . 46.3 p -90.89 123.45 34.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' ILE . 30.4 p90 -146.49 178.55 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 5.2 p -122.98 173.71 7.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' O ' ' OE1' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -66.49 131.25 45.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.27 -34.18 5.98 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -52.9 146.8 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -96.46 114.75 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.266 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.619 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 4.5 mt -103.82 124.41 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD13 ' HG3' ' A' ' 10' ' ' GLU . 46.2 tp -97.73 102.62 14.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.659 HG11 ' HE3' ' A' ' 38' ' ' LYS . 93.3 t -80.09 142.8 13.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -133.1 -44.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.4 129.88 56.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.659 ' HE3' HG11 ' A' ' 35' ' ' VAL . 37.5 mttp -117.2 102.45 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 42' ' ' TRP . 8.7 t0 -110.53 102.75 11.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.18 -135.57 24.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.87 -40.69 31.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 0.75 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 39' ' ' ASP . 23.5 m95 -86.84 132.36 33.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 108.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -116.9 148.66 41.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.6 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.47 165.55 18.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.98 143.13 49.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 27' ' ' PHE . 46.3 mt -139.29 110.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 49' ' ' ASP . . . 61.44 31.57 77.94 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 48' ' ' GLY . 1.9 t70 85.34 23.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' CG ' ' O ' ' A' ' 47' ' ' ILE . 7.4 mtm180 -96.42 173.27 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.46 144.95 34.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.19 171.88 36.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.5 pt -101.93 155.06 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.796 ' CE1' HG11 ' A' ' 59' ' ' VAL . 25.9 p90 -161.32 162.61 21.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.02 119.58 5.71 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.533 1.807 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.3 p -65.93 -10.26 37.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.041 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -89.52 3.75 51.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.1 m-85 -122.81 30.12 6.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.796 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.5 m -146.28 140.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 1.3 pttt -117.27 153.74 50.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 116.44 4.58 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.452 1.764 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.8 ttpt -51.9 97.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -104.58 125.52 50.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 t -91.02 123.28 34.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 121.95 148.47 7.81 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 73.61 4.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.2 p -125.66 122.7 37.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 66.5 m -61.16 -57.54 12.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.983 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.68 -59.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -132.12 138.12 47.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.67 -127.74 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.541 1.15 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 p 43.99 88.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.36 -55.02 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.16 -76.58 0.31 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 68.21 147.21 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -111.22 122.2 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -77.1 129.13 35.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -133.47 149.76 51.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.467 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.7 mm -102.79 131.51 50.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.628 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -66.47 112.82 4.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' LYS . 74.8 mt -72.65 -49.16 33.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -129.81 152.94 80.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -108.83 116.62 32.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -108.16 136.36 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -125.36 152.44 44.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.78 -15.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -101.18 138.18 19.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 0.42 8.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 111.048 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.39 -45.45 7.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.4 134.6 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.0 tp -66.08 129.89 41.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.5 p -110.61 130.01 55.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.409 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' CD1' HD11 ' A' ' 33' ' ' ILE . 28.5 p90 -153.84 172.01 18.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 p -116.73 165.47 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.367 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.78 124.45 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 113.09 -32.13 6.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.23 159.25 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -107.23 103.71 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.628 ' CD1' ' HB2' ' A' ' 13' ' ' ALA . 3.5 mt -95.18 128.29 46.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD13 ' HG3' ' A' ' 10' ' ' GLU . 20.1 tp -103.67 102.21 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.5 t -80.93 132.66 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -119.7 -40.85 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.368 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.25 121.77 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -103.75 103.01 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.14 103.46 15.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.9 -109.64 0.9 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -96.16 -35.73 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 0.734 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -86.95 108.05 18.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 107.97 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CE3' ' HB2' ' A' ' 56' ' ' SER . 28.9 m0 -94.74 154.48 17.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 107.97 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.19 115.62 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.89 169.73 22.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.528 1.142 . . . . 0.0 110.935 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.83 145.99 26.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 110.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.9 mt -138.5 110.66 6.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.05 -77.44 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.7 t0 -143.16 19.02 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -96.89 155.79 16.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.0 139.31 24.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.64 176.83 44.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 pt -101.81 154.81 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.741 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' HE2' HG21 ' A' ' 59' ' ' VAL . 32.0 p90 -154.06 162.56 26.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.82 5.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.458 1.767 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 43' ' ' TRP . 56.8 p -72.99 58.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -141.36 -45.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -85.84 40.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.612 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.2 m -146.35 140.51 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 14' ' ' LEU . 5.6 pttt -120.8 155.9 56.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.69 97.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -128.17 -51.69 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -54.9 -57.21 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.41 115.65 7.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.13 5.16 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.484 1.781 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -139.44 108.64 6.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t 54.88 100.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 110.015 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.137 . . . . 0.0 110.997 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -123.93 123.07 39.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.942 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.27 93.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.25 -179.74 42.54 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -111.18 -60.54 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.014 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -170.68 132.97 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.89 -123.08 1.26 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.08 153.78 21.08 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -113.1 126.28 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -79.61 120.59 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.4 m-85 -130.21 148.71 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.464 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -105.33 137.06 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.24 123.71 24.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD23 ' HE2' ' A' ' 60' ' ' LYS . 18.1 mt -74.73 -48.42 25.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -129.42 158.39 73.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.96 111.17 3.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.449 1.763 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 66.2 t80 -109.37 116.37 31.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -122.15 149.03 44.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.439 ' O ' ' CG2' ' A' ' 26' ' ' THR . 0.2 OUTLIER -172.16 123.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 20' ' ' VAL . 35.9 m -79.2 58.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -115.63 129.61 25.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.321 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 51.0 2.68 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.87 -38.86 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -80.49 132.34 35.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.758 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 19' ' ' SER . 37.4 p -90.09 124.27 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 20.4 p90 -147.77 175.48 10.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.2 p -121.28 171.33 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.38 125.56 27.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.87 -21.25 30.09 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.16 157.6 12.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 0.734 . . . . 0.0 110.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.22 105.75 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.06 125.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.87 107.0 19.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.4 t -87.65 122.8 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.8 p -114.41 -20.42 10.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -137.04 125.97 24.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 35.1 mttp -117.19 102.4 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.96 105.66 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.04 -139.72 28.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.38 -44.38 29.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 0.786 . . . . 0.0 110.286 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -86.8 128.48 35.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 14.7 m0 -110.23 163.38 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.018 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -95.48 115.8 27.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.123 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.72 172.67 19.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.1 m -148.68 156.55 42.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 109.946 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 51.7 mt -138.73 110.68 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.28 -65.73 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 29.2 m-20 -161.82 28.73 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -105.56 169.3 8.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.16 145.54 29.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.89 175.18 39.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.2 pt -102.16 158.18 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 59' ' ' VAL . 23.9 p90 -161.13 162.22 22.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.08 117.37 4.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.0 p -64.88 -11.28 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -87.01 3.43 45.96 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 8.4 m-85 -123.14 29.24 6.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.651 HG11 ' CE1' ' A' ' 54' ' ' PHE . 13.8 m -146.24 143.71 20.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' HE2' HD23 ' A' ' 14' ' ' LEU . 1.8 ptpt -122.69 158.44 56.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.74 5.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.541 1.811 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.8 ttpt -53.25 97.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -134.53 156.09 49.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.7 m -158.18 152.72 24.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -104.12 -142.23 11.59 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -46.44 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.432 1.754 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.97 104.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -87.45 108.85 19.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.36 129.46 39.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 109.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -96.12 121.13 37.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.31 158.62 12.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -68.2 160.77 28.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.761 . . . . 0.0 110.0 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -151.92 112.65 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.87 71.04 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.58 148.46 19.96 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -108.83 122.59 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 0.725 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' HG3' HD13 ' A' ' 34' ' ' LEU . 2.1 mp0 -76.87 117.18 18.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.4 m-85 -123.9 144.4 49.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.556 HD11 ' HE3' ' A' ' 62' ' ' LYS . 5.4 mm -102.75 141.41 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.16 110.25 10.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 60' ' ' LYS . 39.0 mt -63.83 -44.44 93.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.86 154.38 81.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 113.18 3.73 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.519 1.8 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -108.47 116.76 32.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 p -120.36 149.12 42.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.54 124.19 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.1 m -75.72 58.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.01 121.51 35.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 51.22 2.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -167.02 -39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.75 133.35 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.6 tp -72.21 116.24 12.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -92.78 124.85 37.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -150.8 173.26 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -111.89 -177.95 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.62 126.97 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.56 -21.32 28.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -58.44 159.07 6.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 110.315 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' CD1' ' A' ' 12' ' ' ILE . 3.2 mt-10 -107.61 101.85 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.9 mt -95.69 123.8 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD13 ' HG3' ' A' ' 10' ' ' GLU . 25.5 tp -95.2 102.49 14.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 97.4 t -81.38 133.7 28.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.6 p -122.89 -40.03 2.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 124.06 46.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.416 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 54.3 mttt -117.16 102.79 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -110.79 104.02 12.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.82 -135.76 25.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -79.53 -41.71 26.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 39' ' ' ASP . 20.2 m95 -86.93 127.38 35.06 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.3 m0 -113.97 161.84 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.01 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -95.17 115.59 27.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.86 169.51 16.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.8 m -144.33 153.7 42.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.994 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . 68.4 mt -138.39 110.73 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.46 -65.41 0.26 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' ILE . 9.3 m-20 -162.87 29.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 0.767 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -107.24 167.12 10.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.12 143.34 28.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.89 179.34 45.41 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.451 1.094 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.6 pt -103.39 156.47 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.88 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.4 p90 -161.29 162.56 21.61 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.516 1.798 . . . . 0.0 111.038 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 59' ' ' VAL . 50.2 p -60.7 -15.96 34.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -83.42 -1.13 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.8 m-85 -118.36 31.89 6.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.077 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -145.7 140.74 21.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.478 ' HB3' HD21 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -116.66 154.04 49.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.01 5.48 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.059 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -58.3 100.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.39 156.35 38.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.62 150.54 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.952 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.33 -145.43 12.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 98.22 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.85 142.05 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.12 170.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -162.67 -57.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 0.793 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.55 146.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.95 -129.39 1.06 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 106.87 15.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 0.758 . . . . 0.0 110.054 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -144.8 169.25 18.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.2 111.14 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.4 145.25 15.99 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -115.08 121.23 42.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -74.45 136.34 42.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.7 m-85 -139.94 152.94 46.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -109.08 134.68 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.98 109.82 7.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' TYR . 83.0 mt -66.41 -46.46 76.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -131.23 155.33 81.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.87 2.82 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -99.56 115.98 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -115.04 139.7 49.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.8 117.21 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 20' ' ' VAL . 25.2 m -73.37 59.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.06 125.35 28.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.36 2.76 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -169.88 -38.93 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.85 126.92 31.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 45' ' ' GLY . 11.0 tp -71.37 113.83 8.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.1 p -90.41 135.31 33.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CG ' HD11 ' A' ' 33' ' ' ILE . 13.4 p90 -154.12 -174.12 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 p -133.14 156.63 47.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.66 129.65 33.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.14 -26.7 21.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -60.61 151.78 28.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 0.745 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.76 103.55 14.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.57 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.0 mt -93.94 123.93 46.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.103 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.9 tp -96.14 107.36 19.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG22 ' CE2' ' A' ' 54' ' ' PHE . 21.7 t -83.89 143.13 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.3 p -133.12 -44.69 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.445 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.46 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 27.1 mttp -107.67 102.82 12.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.43 103.56 13.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.23 -121.17 25.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -93.1 -23.05 18.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 0.728 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -98.98 107.97 20.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.7 m0 -95.63 164.68 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -102.04 115.81 31.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.55 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -105.65 169.05 15.7 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 m -145.78 154.17 41.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.566 0.804 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' ASP . 53.8 mt -138.49 110.83 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.53 -71.06 0.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.541 1.151 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.4 m-20 -153.21 25.67 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -102.62 166.86 10.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.04 148.12 31.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.95 178.7 40.07 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.7 pt -104.42 157.87 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.9 p90 -153.85 161.23 29.73 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.72 8.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.525 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 97.3 p -72.6 58.44 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -152.85 -43.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.0 m-85 -75.51 3.64 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.759 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.6 m -123.25 140.7 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.7 pttt -119.39 158.6 48.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.82 5.4 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.7 ttpt -54.75 98.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -99.95 136.02 40.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -156.5 138.28 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.986 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.41 -85.54 0.06 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 93.68 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.43 153.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.968 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.91 84.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.964 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -147.89 154.21 40.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.024 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -73.82 -58.4 3.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.69 -143.32 3.69 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.539 1.149 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.01 75.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 0.776 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -114.39 106.44 14.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.41 -135.82 9.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.88 171.03 26.29 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.3 123.03 47.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' HG3' HD13 ' A' ' 34' ' ' LEU . 3.0 mp0 -81.21 119.85 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.9 m-85 -128.35 149.16 50.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -105.72 139.45 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.49 116.82 17.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.56 -40.89 61.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -136.09 154.26 77.34 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 117.15 4.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.441 1.758 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 36.1 t80 -104.66 121.07 42.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -122.99 116.55 23.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 1.4 t -127.69 163.22 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.41 37.4 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.7 mt-10 -99.5 141.08 22.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 18.4 Cg_endo -74.95 49.62 2.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.99 40.87 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -129.28 118.17 21.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.656 HD21 HG13 ' A' ' 47' ' ' ILE . 13.2 tp -66.74 104.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.7 p -84.11 127.99 34.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.416 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.52 ' CD1' HD11 ' A' ' 33' ' ' ILE . 34.4 p90 -153.65 172.4 17.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -118.0 168.22 10.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.39 126.14 26.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.06 -28.39 9.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.102 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -56.15 151.71 11.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -101.93 107.96 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.52 HD11 ' CD1' ' A' ' 27' ' ' PHE . 11.5 mt -99.26 129.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD13 ' HG3' ' A' ' 10' ' ' GLU . 32.8 tp -100.52 101.83 12.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -81.88 140.7 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -133.18 -44.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -111.02 122.56 48.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -114.19 102.96 10.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.02 102.86 11.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.64 -135.52 23.52 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -79.57 -40.07 30.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.527 ' CE3' HD12 ' A' ' 53' ' ' ILE . 27.4 m95 -87.21 132.45 33.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -115.98 156.29 26.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -89.82 115.61 27.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.415 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.43 168.53 17.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 t -143.71 151.31 39.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.79 . . . . 0.0 109.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.656 HG13 HD21 ' A' ' 25' ' ' LEU . 93.1 mt -138.66 110.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.88 -70.82 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 47' ' ' ILE . 27.8 m-20 -155.21 25.19 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -110.13 145.97 36.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 138.41 51.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.56 179.54 46.69 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.55 1.156 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.527 HD12 ' CE3' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -101.8 157.33 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 0.719 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.85 ' CE1' HG11 ' A' ' 59' ' ' VAL . 24.8 p90 -161.19 162.2 22.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.04 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -65.56 -14.77 61.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -85.37 -0.58 55.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.477 ' CG ' ' HG2' ' A' ' 55' ' ' PRO . 6.3 m-85 -118.25 30.17 7.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.036 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.85 HG11 ' CE1' ' A' ' 54' ' ' PHE . 17.2 m -145.8 141.37 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.5 pttt -118.92 154.13 52.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 117.78 5.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 5.6 ttpt -52.87 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -174.19 156.24 2.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.0 t -148.63 167.45 25.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.49 -120.44 1.91 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.93 120.77 36.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.16 136.21 35.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.034 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.53 105.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 0.765 . . . . 0.0 109.952 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.2 t -109.41 146.46 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.35 130.91 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.0 m -137.34 145.33 43.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.994 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -115.87 -61.22 1.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.56 69.05 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -125.41 149.73 17.19 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -110.25 120.78 43.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.283 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.59 119.9 20.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -126.55 144.45 50.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.5 mm -101.23 137.38 29.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.79 107.48 10.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 70.8 mt -61.71 -52.28 64.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 3.1 m-85 -129.2 157.49 75.88 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 120.63 6.13 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.546 1.814 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 55' ' ' PRO . 65.5 t80 -112.24 116.19 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 p -104.38 141.04 37.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.7 154.29 44.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.1 m -93.13 -16.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 56.3 mt-10 -101.0 139.36 20.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 21' ' ' GLU . 18.1 Cg_endo -75.06 0.0 9.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.791 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.23 -38.9 13.7 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.26 141.1 37.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 47' ' ' ILE . 15.2 tp -77.78 110.02 12.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -86.47 127.67 34.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.5 p90 -149.55 160.36 43.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 p -108.22 171.33 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.421 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -66.01 128.92 37.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.61 -28.22 14.09 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.0 154.0 8.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -107.43 104.53 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.655 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.8 mt -93.94 122.97 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.3 tp -93.64 106.02 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.567 HG11 ' HE3' ' A' ' 38' ' ' LYS . 32.0 t -79.94 141.5 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.7 p -133.34 -44.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 110.403 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -120.2 130.59 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.567 ' HE3' HG11 ' A' ' 35' ' ' VAL . 14.9 mttp -113.3 102.28 10.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -101.49 102.86 13.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.4 -121.31 25.84 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -90.92 -27.23 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.757 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -95.72 109.05 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 108.009 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.442 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 15.1 m0 -94.26 165.23 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 107.99 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 m -104.32 115.46 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.409 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -102.99 169.95 19.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 t -145.0 149.93 36.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.029 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 49' ' ' ASP . 61.7 mt -138.56 110.51 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.5 -76.01 0.03 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 47' ' ' ILE . 6.4 m-20 -145.82 20.41 1.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -104.38 144.89 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.15 139.7 44.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.96 -179.41 48.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.7 pt -101.79 159.94 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 0.736 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -160.57 162.87 22.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HG3' ' CE1' ' A' ' 17' ' ' TYR . 18.4 Cg_endo -74.98 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.6 p -70.3 58.78 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -145.65 -42.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -83.62 36.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' ILE . 18.8 m -146.69 140.76 20.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 2.3 pttt -120.78 154.5 57.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 116.88 4.72 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 4.6 ttpt -52.96 97.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.55 -48.29 15.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.2 p -132.97 109.86 9.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -94.47 -70.87 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.47 32.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.431 1.753 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -149.49 131.23 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.976 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.7 t -109.24 160.49 16.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.58 156.47 45.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.014 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.49 150.81 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.07 73.37 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -59.94 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -65.75 107.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.51 104.32 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.0 148.71 9.43 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -118.39 124.01 46.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 0.72 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -74.63 136.72 41.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 8.2 m-85 -141.12 147.4 38.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.2 mm -103.57 131.65 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.22 117.12 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 60' ' ' LYS . 20.9 mt -75.69 -51.43 12.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 4.4 m-85 -125.41 154.27 72.34 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.89 2.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.536 1.808 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 81.9 t80 -101.49 115.83 31.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.0 t -123.07 148.94 45.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.48 136.6 1.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.72 52.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -116.04 122.72 31.95 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 51.3 2.75 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.17 -41.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.78 136.39 38.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 0.745 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 47' ' ' ILE . 14.4 tp -80.35 108.99 14.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -78.89 136.11 37.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CG ' HD11 ' A' ' 33' ' ' ILE . 12.7 p90 -158.06 176.57 12.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 p -121.43 170.35 9.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -68.84 124.54 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.07 -31.91 6.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -53.15 157.19 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 110.322 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -108.88 105.51 15.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.511 HD11 ' CG ' ' A' ' 27' ' ' PHE . 7.6 mt -93.87 127.7 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.6 tp -98.95 107.0 19.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.03 125.09 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.1 p -113.74 -23.07 9.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -136.87 130.89 32.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -115.05 102.34 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -100.43 103.88 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 55.66 -117.32 8.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.05 -30.23 15.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -92.85 108.92 20.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 107.954 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 13.0 m0 -94.6 164.52 12.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.024 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.0 m -106.0 115.49 30.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.396 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.528 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -101.91 171.02 21.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.9 t -144.82 149.52 35.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.005 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG13 HD21 ' A' ' 25' ' ' LEU . 95.9 mt -138.63 110.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.85 -75.75 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -147.65 21.79 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -103.27 151.99 22.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.06 136.94 38.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.24 177.38 48.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.533 1.146 . . . . 0.0 111.06 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 pt -102.53 157.18 4.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.484 0.755 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.719 ' CE1' HG21 ' A' ' 59' ' ' VAL . 21.3 p90 -153.31 161.26 29.58 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.58 8.0 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.57 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 77.2 p -73.48 58.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -150.85 -44.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 15' ' ' TYR . 5.1 m-85 -72.47 -0.66 13.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.719 HG21 ' CE1' ' A' ' 54' ' ' PHE . 28.5 m -123.17 140.61 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 14' ' ' LEU . 1.5 pttt -118.21 160.21 40.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 114.34 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.458 1.767 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 9.0 ttpt -50.89 97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -78.05 131.2 37.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.85 124.89 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.62 83.13 1.37 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.73 5.71 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.435 1.755 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 t 57.37 93.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.9 m -57.95 120.58 8.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 111.016 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.58 107.44 4.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -126.75 95.01 4.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.96 175.57 14.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.94 -58.56 1.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.64 -56.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.945 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.01 -146.37 4.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.58 162.82 17.68 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -118.01 121.57 40.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -79.46 120.51 23.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.5 m-85 -129.31 146.08 51.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mm -101.27 136.98 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 29' ' ' GLU . . . -79.9 105.22 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.99 -45.6 90.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.97 154.68 81.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 118.31 5.22 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -107.68 118.03 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.1 m -121.24 128.92 52.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 t -142.28 169.09 18.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.16 45.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.94 141.79 23.46 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 49.95 2.4 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' O ' ' CG1' ' A' ' 53' ' ' ILE . . . 165.31 41.19 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -129.17 116.54 19.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.71 HD22 ' C ' ' A' ' 45' ' ' GLY . 14.6 tp -69.38 102.44 1.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 p -80.17 127.48 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.732 ' CG ' HD11 ' A' ' 33' ' ' ILE . 18.7 p90 -151.92 167.69 27.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.065 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -112.22 174.73 5.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -69.29 130.7 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.05 -30.09 10.81 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 1.4 mp0 -55.05 142.91 28.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.15 122.07 33.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.732 HD11 ' CG ' ' A' ' 27' ' ' PHE . 8.8 mt -111.58 132.93 58.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.5 tp -100.69 101.9 12.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.0 t -83.18 138.71 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -130.46 -43.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.8 127.78 56.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 19.5 mttp -116.39 102.55 9.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.82 103.92 13.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 62.51 -122.05 26.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.7 -42.3 12.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.754 . . . . 0.0 110.304 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -86.71 117.0 25.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 108.002 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 12.6 m0 -101.31 162.14 13.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.0 m -97.88 115.77 28.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.416 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.71 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -96.94 172.81 28.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -148.43 144.4 27.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.974 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG13 HD21 ' A' ' 25' ' ' LEU . 65.0 mt -138.38 110.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.41 -73.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.3 OUTLIER -150.5 23.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 46' ' ' SER . 16.8 mtm180 -107.08 151.73 24.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.91 142.73 31.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 179.31 -176.47 47.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' O ' ' A' ' 23' ' ' GLY . 1.1 pp -101.78 158.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 0.8 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 54' ' ' PHE . 13.0 p90 -161.42 161.64 22.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.02 120.07 5.91 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.56 1.821 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.8 p -68.76 -7.79 37.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -94.93 4.81 53.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.79 16.47 11.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -135.97 149.97 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 2.6 pttt -126.91 158.33 68.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.8 4.69 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.542 1.811 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 99.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.28 124.4 46.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.2 p -42.54 128.59 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 143.61 -145.47 15.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 127.33 10.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.766 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 m -43.02 -58.68 2.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.9 m 61.34 110.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.517 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.21 127.6 37.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 m 56.19 104.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.64 -102.23 0.98 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -144.33 115.5 7.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.757 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 p -127.09 109.52 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.04 -116.0 1.41 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.83 147.36 18.64 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -120.33 121.63 39.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -74.83 139.55 43.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 9.7 m-85 -140.99 147.0 38.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.6 mm -102.99 118.85 50.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.69 116.47 4.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.2 mt -71.81 -56.44 5.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -118.56 155.53 52.14 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.94 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 84.7 t80 -102.76 115.9 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.8 p -121.06 149.04 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.75 121.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.0 m -77.15 56.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -116.14 123.88 30.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 51.05 2.69 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.58 -41.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.81 130.97 34.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 0.776 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 47' ' ' ILE . 20.4 tp -67.21 125.46 26.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 p -93.06 125.98 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.555 ' CG ' HD11 ' A' ' 33' ' ' ILE . 30.4 p90 -152.06 178.73 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 19.4 p -121.32 -169.11 1.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.93 134.58 33.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.3 -28.63 11.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -51.63 149.01 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 110.281 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -101.13 104.81 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.555 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.3 mt -94.78 132.58 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.0 tp -98.68 102.03 13.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 t -85.1 130.79 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.0 p -119.19 -38.29 3.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.5 130.88 56.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -116.4 102.35 9.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -101.85 103.83 14.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.99 -119.22 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -91.64 -36.08 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 110.285 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.33 111.2 21.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.566 ' CZ3' ' HB2' ' A' ' 56' ' ' SER . 12.8 m0 -95.9 161.29 14.06 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.4 m -99.54 115.76 30.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.352 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.49 168.92 23.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 143.89 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' ASP . 81.2 mt -138.38 110.56 6.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.85 -69.07 0.12 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' ILE . 60.6 t0 -157.65 27.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 0.785 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -110.24 157.98 18.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.57 155.74 43.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.26 -174.66 41.13 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -101.87 158.55 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 59' ' ' VAL . 18.1 p90 -161.24 162.22 22.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.65 5.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.432 1.754 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 11.7 p -74.15 -2.96 26.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.0 p-10 -98.45 -1.55 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -111.44 3.82 18.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 18.9 m -129.55 143.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.8 pttt -113.16 155.87 43.77 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 11.3 ttpt -54.17 98.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.58 144.4 49.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m 49.53 74.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.976 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.86 -162.79 30.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -44.05 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 p -139.04 147.41 42.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 t -164.9 -58.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -176.01 149.08 0.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.462 0.743 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m 60.5 91.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.067 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.76 147.4 4.84 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -101.88 126.12 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -176.99 164.32 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.77 79.27 0.31 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.76 156.17 27.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -111.01 121.07 44.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -77.47 127.81 33.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.427 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 7.8 m-85 -136.07 153.06 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 62' ' ' LYS . 2.4 mm -110.86 130.12 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.26 111.7 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.95 -44.16 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -131.34 156.39 80.19 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . 73.5 t80 -105.16 116.2 31.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p -115.87 148.3 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.6 112.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 20' ' ' VAL . 17.7 m -74.86 60.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.469 ' CB ' ' OD1' ' A' ' 24' ' ' ASP . 1.1 mt-10 -115.99 130.83 24.1 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 51.28 2.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . -171.25 -38.9 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 21' ' ' GLU . 7.2 m-20 -77.24 128.62 34.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 45' ' ' GLY . 15.0 tp -74.79 109.22 8.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.9 p -82.52 132.73 35.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 17' ' ' TYR . 32.4 p90 -156.3 178.15 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 2.3 p -124.6 169.35 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 125.15 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.82 -27.38 11.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -56.67 152.68 11.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.62 101.5 11.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.416 HD11 ' CG ' ' A' ' 27' ' ' PHE . 6.1 mt -95.07 131.33 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.0 tp -100.56 106.35 17.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -81.15 142.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.0 p -135.04 -45.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.38 125.08 53.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' HB3' ' CD1' ' A' ' 43' ' ' TRP . 36.7 mttp -115.39 102.73 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 102.9 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.23 -139.24 26.56 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.96 -41.82 41.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -88.64 130.07 35.37 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 38' ' ' LYS . 10.2 m0 -111.53 161.88 15.71 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -92.21 115.84 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -104.84 166.41 14.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -138.34 153.55 48.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . 80.1 mt -138.7 110.11 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.64 -65.12 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -161.38 28.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 0.764 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -110.82 167.46 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 t -144.78 164.22 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -174.24 34.32 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.6 pt -107.67 159.21 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -161.35 162.04 22.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.0 119.83 5.81 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 64.9 p -68.43 -8.06 37.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -93.91 3.51 55.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.9 m-85 -119.98 17.82 12.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.74 141.84 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -116.73 155.28 49.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 115.55 4.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 12' ' ' ILE . 7.3 ttpt -50.76 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.49 -56.44 2.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -70.71 100.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -122.51 97.32 0.59 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 90.67 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 t -138.57 152.16 47.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.964 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.8 p -166.09 115.91 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.976 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -126.61 101.6 6.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.746 . . . . 0.0 110.042 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -133.8 163.97 28.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.81 -139.86 2.53 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.51 148.55 39.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 0.769 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t 40.72 75.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -66.73 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -102.0 151.69 18.46 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -114.59 123.6 49.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.296 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.27 137.26 38.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.1 m-85 -141.24 148.63 40.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mm -103.6 123.98 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.47 117.86 7.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.6 mt -73.91 -47.8 35.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -127.98 155.65 77.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 111.63 3.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.489 1.784 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . 80.7 t80 -108.4 119.19 38.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 p -119.02 143.99 46.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.22 115.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.0 m -83.95 54.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -113.27 136.25 21.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 51.4 2.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -172.59 -38.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.429 1.081 . . . . 0.0 111.049 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.69 122.19 28.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 0.749 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 HD22 ' C ' ' A' ' 45' ' ' GLY . 19.9 tp -64.6 146.31 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -114.75 125.61 53.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 33' ' ' ILE . 43.3 p90 -154.23 172.06 18.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 3.0 p -118.07 178.09 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.29 132.39 39.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.99 -24.83 30.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.14 162.16 4.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -111.24 105.86 14.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.4 mt -94.62 130.68 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 tp -96.7 101.96 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.1 130.53 35.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.6 p -116.4 -33.14 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -132.48 137.02 47.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.526 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 18.1 mttp -115.47 101.88 9.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -100.17 102.9 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.52 -119.69 16.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -89.0 -38.32 14.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -87.06 109.87 19.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' CD2' ' HD3' ' A' ' 38' ' ' LYS . 22.6 m0 -93.62 154.65 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 108.036 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -93.25 115.79 28.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' C ' HD22 ' A' ' 25' ' ' LEU . . . -103.06 164.09 15.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 1.1 t -140.09 146.04 38.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.077 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' ASP . 70.4 mt -138.79 110.7 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.55 -74.82 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.2 t70 -147.61 22.44 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -106.42 147.85 28.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.85 142.95 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.38 -171.42 44.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.5 pt -104.49 161.9 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.482 0.754 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.642 ' CE1' HG21 ' A' ' 59' ' ' VAL . 10.6 p90 -161.1 161.2 24.19 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.03 120.06 5.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.436 1.756 . . . . 0.0 111.035 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.8 p -70.08 -6.78 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 57' ' ' ASN . 10.9 t30 -95.95 3.72 53.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 6.1 m-85 -117.67 1.63 12.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.2 m -129.61 141.3 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 7.5 pttt -116.87 159.22 41.6 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.68 5.35 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.552 1.817 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -55.49 98.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.77 159.97 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -55.8 30.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.6 155.36 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -59.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.9 t -63.23 152.78 36.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 m -102.84 129.94 49.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.003 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.27 88.31 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 110.025 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 p -152.47 119.04 5.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.31 -101.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -134.69 105.81 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -124.82 101.85 7.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.83 -121.38 2.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.473 1.108 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.89 154.13 1.52 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 38' ' ' LYS . 2.2 mp0 -109.33 121.13 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -75.42 132.86 41.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 8.9 m-85 -138.54 146.9 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.471 ' HB ' ' CG ' ' A' ' 60' ' ' LYS . 2.1 mm -102.19 148.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.96 111.19 21.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.4 HD21 ' HB3' ' A' ' 60' ' ' LYS . 23.9 mt -68.12 -43.84 77.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -130.98 152.8 81.3 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.99 112.54 3.59 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -106.58 115.99 31.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.8 p -114.05 149.02 36.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.59 114.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.4 m -77.13 57.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -114.36 131.78 23.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 51.06 2.69 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' O ' ' CA ' ' A' ' 52' ' ' GLY . . . -171.53 -38.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.47 130.28 35.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD21 HG13 ' A' ' 47' ' ' ILE . 16.4 tp -75.53 122.21 23.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.6 p -92.53 125.45 37.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.697 ' CD1' HD11 ' A' ' 33' ' ' ILE . 37.2 p90 -150.53 165.4 33.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 6.0 p -113.26 174.52 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.39 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -70.77 130.11 40.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.87 -28.08 16.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -54.03 160.51 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -110.93 103.17 11.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 27' ' ' PHE . 10.3 mt -94.65 123.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.2 tp -93.88 102.82 14.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 t -81.26 139.51 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.9 p -130.56 -43.75 1.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -113.73 126.11 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HD3' ' CE3' ' A' ' 43' ' ' TRP . 28.1 mttp -115.61 102.71 10.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.28 103.02 11.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.09 -135.04 22.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.94 -43.59 21.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 110.281 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -87.54 130.02 34.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' CE3' ' HD3' ' A' ' 38' ' ' LYS . 8.5 m0 -111.27 164.68 12.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 108.039 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 52' ' ' GLY . 3.4 m -96.47 115.65 27.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.07 172.34 29.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 0.6 OUTLIER -147.42 145.32 29.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . 86.8 mt -138.34 110.67 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.1 -71.16 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 1.3 m-20 -154.21 24.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 46' ' ' SER . 5.8 mtt180 -109.74 155.16 21.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -140.3 164.26 30.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' THR . . . 159.96 -172.39 36.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.5 pt -108.84 157.86 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' CE1' HG11 ' A' ' 59' ' ' VAL . 19.7 p90 -161.21 162.15 22.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -74.98 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.9 p -64.0 -12.21 36.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -88.66 1.91 54.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PRO . 7.0 m-85 -120.49 28.6 7.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.464 HG11 ' CE1' ' A' ' 54' ' ' PHE . 22.9 m -146.26 140.87 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' CG ' ' HB ' ' A' ' 12' ' ' ILE . 0.9 OUTLIER -118.05 153.61 51.29 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.1 5.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -53.34 97.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.99 105.12 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 t -148.05 120.94 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 176.23 89.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 77.31 3.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.527 1.804 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.72 123.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.51 128.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -115.83 169.85 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.56 -57.88 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.969 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.23 94.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 t -155.84 138.8 15.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.06 124.23 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.8 57.55 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.06 151.56 23.17 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -120.24 121.39 38.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 0.764 . . . . 0.0 110.329 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -77.19 124.11 27.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 6.0 m-85 -128.11 145.17 51.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.39 133.01 50.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . . . -73.76 106.91 5.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 58' ' ' TYR . 42.2 mt -59.81 -41.22 90.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -132.52 154.75 81.65 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 106.29 2.25 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -98.51 116.04 29.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 p -113.59 142.81 45.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.42 122.72 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.9 m -80.37 54.47 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -116.09 126.11 27.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 51.39 2.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -166.56 -39.91 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -76.81 135.8 38.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 0.792 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 47' ' ' ILE . 14.7 tp -79.05 117.66 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.4 p -92.45 129.88 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CG ' HD11 ' A' ' 33' ' ' ILE . 14.3 p90 -153.03 164.86 37.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 p -108.32 172.36 6.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.91 126.01 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.31 -24.22 18.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.05 155.86 16.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -105.63 103.04 12.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.548 HD11 ' CG ' ' A' ' 27' ' ' PHE . 5.9 mt -93.9 121.56 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.152 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.2 tp -93.19 102.24 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.97 143.11 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.1 p -133.7 -44.93 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 126.65 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 43' ' ' TRP . 14.9 mttt -111.33 102.68 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -99.0 104.55 16.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 53.81 -111.71 2.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -96.23 -34.62 11.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 110.358 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.651 ' CE3' HD12 ' A' ' 53' ' ' ILE . 58.5 m95 -88.77 110.52 21.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 107.991 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.573 ' CH2' ' HB2' ' A' ' 56' ' ' SER . 14.6 m0 -96.34 164.55 12.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -104.6 115.84 31.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.408 ' HA3' ' CG2' ' A' ' 33' ' ' ILE . . . -103.67 164.12 15.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -138.55 148.89 44.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' ASP . 84.3 mt -138.45 110.74 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.4 -77.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.4 OUTLIER -146.26 21.83 1.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -100.44 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.06 137.44 23.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.976 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 25' ' ' LEU . . . 179.92 179.86 48.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.651 HD12 ' CE3' ' A' ' 42' ' ' TRP . 3.2 pt -104.78 159.37 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.723 ' CE1' HG21 ' A' ' 59' ' ' VAL . 17.6 p90 -156.25 161.31 29.76 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.17 7.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.573 ' HB2' ' CH2' ' A' ' 43' ' ' TRP . 87.2 p -72.56 58.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -152.55 -43.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' LEU . 6.6 m-85 -76.55 5.55 7.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.723 HG21 ' CE1' ' A' ' 54' ' ' PHE . 32.6 m -123.11 140.47 46.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -118.96 158.82 46.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.62 5.33 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 100.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -82.77 113.8 20.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.4 t -121.06 -59.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.82 88.49 1.96 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 159.44 41.07 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.33 155.32 25.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.49 122.87 21.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.973 . . . . . . . . 0 0 . 1 stop_ save_