data_1um7_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 1um7 _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 ' 15' ' ' GLU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.99 141.49 26.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -131.3 175.24 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 2.5 mttt -100.49 137.59 38.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' CD ' ' A' ' 17' ' ' ARG . 5.4 mt -136.21 89.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.06 106.25 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 58' ' ' LEU . 35.2 mt -105.23 135.41 46.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -95.76 104.83 16.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' CG ' HD11 ' A' ' 28' ' ' LEU . 2.0 mtmt -42.78 111.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 -43.77 8.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.2 p 177.18 -64.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -63.63 -35.97 82.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.31 -141.45 7.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.1 mm? -91.82 -9.94 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 38.5 9.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.0 p90 -164.27 144.92 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.16 175.78 6.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 pt -143.7 153.12 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG21 ' CE2' ' A' ' 105' ' ' PHE . 3.4 m -139.11 177.2 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.11 -165.41 17.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.06 21.17 8.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 38' ' ' GLY . 5.9 mt-10 -113.66 122.28 46.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 40.94 32.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.4 49.0 58.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -21.01 60.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.49 146.45 8.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.595 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 5.5 mm -86.79 154.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 60.5 m-85 -156.36 142.01 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 68.3 t -64.07 136.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.495 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.0 -32.88 11.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 48.8 t80 -162.84 161.8 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.63 117.83 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.2 tp -54.27 152.87 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.19 110.27 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.98 -10.88 40.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.97 -177.87 12.84 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.98 -29.57 8.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.94 -56.28 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 25.6 mt -50.75 -56.25 12.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 92.1 p -40.76 -30.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 66.44 40.19 94.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' ILE . 17.3 mm-40 -130.09 -65.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -62.59 137.03 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.44 ' N ' HD21 ' A' ' 58' ' ' LEU . 16.0 mtt85 -140.2 150.56 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.52 123.95 20.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.07 -18.16 14.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.79 162.76 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 51.1 ttt180 -116.32 104.5 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 4.7 mm -60.3 130.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.7 mt -108.51 -53.32 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.4 p -145.12 159.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.4 t -126.71 108.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.2 t-20 79.47 -56.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.32 38.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 66' ' ' SER . 99.4 t -121.35 129.69 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.74 99.55 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.52 14.58 30.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -43.47 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.88 57.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.33 153.09 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -71.34 172.92 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -58.64 -54.42 47.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.5 tt0 -51.85 -56.48 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -48.01 -50.0 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.84 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.97 -44.71 9.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -27.87 53.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.1 -17.78 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' CG1' ' A' ' 67' ' ' VAL . 46.7 mt -96.2 -24.77 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -82.43 -22.78 35.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.97 -11.06 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 91' ' ' VAL . . . -65.84 -142.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.25 -132.68 1.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.4 -52.16 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.32 92.47 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 87' ' ' ALA . 21.2 t -100.43 127.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.413 ' CG2' ' HG2' ' A' ' 18' ' ' LYS . 87.4 m -94.87 101.77 13.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -95.57 105.74 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.8 101.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.18 161.47 26.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 5.3 pt20 -128.05 119.08 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.13 95.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 84.31 58.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.42 13.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.59 -35.66 72.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' SER . 3.5 mm-40 -81.46 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 77.7 t80 -43.07 -25.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' GLU . 28.0 t -38.78 -50.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.53 -54.26 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 33' ' ' VAL . 28.3 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 144.53 30.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.12 137.91 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.86 110.52 10.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.27 120.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mt -112.28 104.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 58' ' ' LEU . 1.2 mm? -95.19 142.41 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 35.4 m80 -102.87 99.7 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.5 mtmt -40.08 112.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.18 -55.36 5.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.19 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -61.68 -43.5 98.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.58 -140.33 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 12.7 mt -93.9 -8.95 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . 85.95 26.07 35.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -166.09 145.95 6.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.772 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.45 174.96 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.32 159.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -146.9 172.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.6 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.11 39.25 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' GLY . 1.4 mm-40 -131.26 123.72 29.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 45.94 27.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 54.2 57.92 14.95 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -85.83 -31.61 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.3 164.95 10.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ILE . 5.5 mm -108.43 142.19 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 47.1 m-85 -140.79 167.62 21.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 41.9 t -85.66 137.46 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.546 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.68 -31.42 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 54.4 t80 -167.15 168.09 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.84 116.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 48' ' ' ALA . 3.3 tm? -58.84 144.31 44.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 47' ' ' LEU . . . -91.29 110.17 21.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.59 -13.22 27.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.93 -175.66 24.94 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.2 Cg_endo -75.0 -33.41 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -67.31 -30.16 69.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -91.21 -56.6 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 20.4 mt -49.01 -57.61 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 67.0 m -43.89 -30.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.37 14.07 71.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.0 -75.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.55 146.5 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 4.0 mtt85 -141.12 164.0 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 46' ' ' ILE . 5.3 ttt180 -80.74 102.65 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.22 -25.55 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.63 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 60.5 ttt180 -121.05 102.76 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.446 HD13 ' CG2' ' A' ' 93' ' ' ILE . 48.7 mm -57.29 130.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 27.5 mt -111.43 -49.15 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 9.7 p -145.49 157.62 43.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.71 126.18 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 52.74 28.75 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.29 37.84 23.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 66' ' ' SER . 93.1 t -116.13 128.02 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.45 117.98 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.4 15.86 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -45.29 -42.01 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -131.34 52.84 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.06 156.3 18.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -75.69 165.98 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -51.21 -54.95 20.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.582 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.1 tt0 -52.81 -55.83 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -50.71 -36.56 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.4 -23.16 61.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.41 -47.33 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.17 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.29 -19.45 42.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 91' ' ' VAL . 54.0 mt -97.13 -27.57 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -18.56 57.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -19.81 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.422 ' CB ' HG11 ' A' ' 91' ' ' VAL . . . -65.79 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.38 -141.65 3.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -51.59 63.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.01 100.27 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 84' ' ' LEU . 17.6 t -110.2 126.36 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.4 m -94.24 100.82 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 28' ' ' LEU . 5.2 mp -101.0 111.44 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.04 100.72 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 157.97 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -122.26 130.66 53.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -58.42 96.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.86 83.84 33.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.82 -48.29 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.8 mm-40 -67.76 -59.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 63.2 t80 -42.51 -34.99 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -49.65 -28.25 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -63.71 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.01 167.0 28.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -153.85 131.64 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 110.02 7.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.456 ' CG2' HD23 ' A' ' 21' ' ' LEU . 3.4 mt -110.18 139.98 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 mt -124.35 105.07 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD23 ' CG2' ' A' ' 19' ' ' ILE . 2.4 mm? -96.86 147.15 24.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' LYS . 16.3 m-70 -112.65 105.07 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' HIS . 4.3 mttm -39.98 111.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.73 -48.94 25.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.81 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -92.19 -42.88 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.01 -146.53 8.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -83.77 -8.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.26 46.41 15.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -169.86 148.56 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.03 171.33 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.32 155.3 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -140.38 177.23 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.22 -174.46 23.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.44 47.29 0.87 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 16.5 mt-10 -140.41 120.88 14.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t0 46.47 37.97 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.58 56.44 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 1.3 pt-20 -85.02 -29.74 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.18 -172.48 17.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 6.0 mm -128.36 144.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' CE1' ' NH2' ' A' ' 104' ' ' ARG . 30.0 m-85 -146.38 144.5 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.562 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.5 t -62.09 140.55 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.573 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -103.33 -18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 79.1 t80 178.77 165.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -131.68 122.01 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.44 HD12 ' CA ' ' A' ' 50' ' ' GLY . 2.8 tm? -57.93 139.0 55.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' C ' HD13 ' A' ' 47' ' ' LEU . . . -82.38 112.55 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.77 53.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.55 -175.18 9.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 58' ' ' LEU . . . -67.74 -18.37 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -57.1 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 12.5 mt -48.02 -45.52 32.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -56.05 -42.63 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.23 -20.48 29.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.64 -65.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 1.1 tp -64.59 124.37 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.98 150.25 44.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 14.8 ttp-105 -54.0 125.31 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 118.64 -33.48 4.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.53 153.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 57.3 ttt180 -112.65 102.29 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.439 HD13 ' CG2' ' A' ' 93' ' ' ILE . 50.6 mm -56.93 128.3 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 35.0 mt -110.16 -41.1 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 36.1 p -156.57 151.54 26.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.18 130.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 52.28 19.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 86.45 45.07 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -119.2 147.43 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -89.69 109.99 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' ARG . 9.5 mt -123.05 4.43 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.4 mtp180 -37.8 -42.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -133.04 49.41 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.79 155.64 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 p -78.41 156.06 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -40.36 -56.21 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.2 tt0 -51.12 -58.42 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -46.47 -45.99 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.82 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -77.69 -46.4 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 -27.42 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.63 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.7 mm? -84.92 -21.09 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -90.04 -9.45 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 91' ' ' VAL . . . -69.05 -141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.05 -136.33 2.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -74.42 -51.22 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.42 96.87 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 87' ' ' ALA . 16.5 t -106.17 130.43 57.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -97.3 100.72 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ILE . 5.0 mp -99.69 115.26 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.59 101.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.56 166.08 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.84 127.08 45.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.53 97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -134.34 82.8 45.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -26.99 10.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.28 -57.38 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.491 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.3 mm-40 -57.99 -58.92 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 85.6 t80 -54.7 -20.55 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 100' ' ' GLU . 5.6 t -48.73 -32.14 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.598 ' NH2' ' CE1' ' A' ' 42' ' ' PHE . 5.3 ptt85 -62.54 -34.45 76.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 33' ' ' VAL . 12.8 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 150.03 37.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -135.3 137.0 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -73.67 110.25 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.33 110.81 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mt -102.04 106.13 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' CD1' ' A' ' 58' ' ' LEU . 1.4 mm? -95.58 142.63 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 6.8 m170 -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' HD12 ' A' ' 28' ' ' LEU . 6.9 mttm -39.73 118.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.6 -40.49 6.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.66 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -68.36 -54.39 17.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.44 -134.85 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.582 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -90.13 -9.53 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.24 36.34 18.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.7 p90 -162.4 146.44 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.452 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.33 170.37 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.27 151.69 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -139.84 174.55 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 -168.14 15.0 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 34.34 3.28 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -127.97 121.35 29.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 44.72 38.55 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.29 60.8 3.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.1 pt-20 -88.98 -30.32 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 133.58 172.55 12.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -115.89 138.0 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 89.9 m-85 -133.86 162.3 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 37.4 t -81.93 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.535 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -88.04 -32.34 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.3 t80 -168.61 165.84 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.521 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -129.96 116.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 2.0 tp -54.93 151.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -97.16 108.95 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.07 -11.89 29.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.24 -174.61 19.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.96 -33.62 4.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.97 65.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -57.7 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 18.9 mt -49.2 -56.38 9.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 58.6 m -40.45 -50.13 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.5 -12.44 68.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.51 -74.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -50.63 145.15 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -145.28 151.73 38.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -68.6 115.48 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.71 -26.19 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.19 173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 0.743 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.6 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -127.73 103.91 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.29 129.58 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 27.0 mt -109.43 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.6 p -144.97 153.2 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.462 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.5 t -128.28 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . 15.3 t-20 39.63 29.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.88 56.96 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.6 p -133.19 147.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -89.77 110.72 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 73' ' ' ARG . 12.9 mt -123.5 3.14 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' LEU . 21.7 mtp180 -38.5 -41.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -129.57 52.12 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.36 163.67 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -87.6 162.55 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -49.4 -42.83 43.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.8 -51.87 62.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -51.03 -48.91 61.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.38 66.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.36 -43.06 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.64 71.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.41 -15.08 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.459 ' CD2' HD22 ' A' ' 28' ' ' LEU . 48.1 mt -95.03 -29.56 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -16.39 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -91.26 -19.08 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . . . -66.05 -142.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.04 -128.3 0.99 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -84.24 -39.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -108.49 97.97 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 12.7 t -109.11 139.77 30.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.2 m -103.7 100.58 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.82 114.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.1 t -103.56 100.53 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.53 156.29 39.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -117.92 131.33 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.78 93.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.92 83.43 56.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.01 13.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.558 1.82 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.6 -51.56 69.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.9 mm-40 -65.35 -60.54 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 64.9 t80 -42.73 -32.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -51.99 -28.04 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.06 -29.1 70.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 43.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 154.18 42.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -143.88 179.04 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 128.67 53.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 7.1 mt -130.01 112.14 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.24 108.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.488 ' CD1' ' CD2' ' A' ' 58' ' ' LEU . 34.0 mt -106.98 128.88 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' LYS . 31.9 m-70 -89.6 107.17 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.1 mtmt -38.27 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 -54.61 1.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.5 OUTLIER -165.16 157.08 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 25' ' ' SER . 69.1 p 47.51 23.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' SER . . . 105.24 -144.44 15.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.514 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 mm? -77.62 -7.53 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.415 ' CA ' ' HB3' ' A' ' 47' ' ' LEU . . . 84.26 43.14 7.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.4 p90 -170.23 148.24 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.99 169.16 9.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.29 160.79 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.2 m -145.85 177.02 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.9 -177.84 26.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.29 41.25 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -134.28 123.41 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 44.5 30.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.32 58.34 12.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.4 pt-20 -85.41 -31.96 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 130.95 164.41 11.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.592 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.9 mm -108.64 147.78 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 25.6 m-85 -149.92 163.49 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 t -86.94 136.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.78 -13.03 19.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.5 t80 177.93 166.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.5 mm -132.39 121.1 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 47' ' ' LEU . 3.1 tm? -54.01 139.48 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.05 118.87 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.28 -12.82 67.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.58 -179.08 13.55 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 -30.97 6.58 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 58' ' ' LEU . . . -69.85 -21.67 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.33 -56.24 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.0 mt -48.51 -55.83 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.3 m -40.01 -41.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.21 9.12 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.21 -55.46 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -74.17 123.72 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.38 147.62 49.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 9.5 ttm180 -54.01 122.48 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.507 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 112.76 0.19 25.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.44 116.71 18.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 35.2 ttt180 -74.02 109.57 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.434 HD13 ' CG2' ' A' ' 93' ' ' ILE . 7.3 mm -68.31 134.98 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 38.7 mt -112.5 -52.99 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.5 p -145.58 152.05 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.46 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.4 t -127.81 140.13 49.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 40.1 28.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.93 56.3 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.6 p -132.0 147.23 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.14 110.43 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' ARG . 12.2 mt -122.39 3.84 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -38.08 -40.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -132.72 52.45 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.06 153.05 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 p -78.66 160.73 27.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -42.21 -57.52 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -50.91 -58.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -46.34 -45.55 17.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.92 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.12 67.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -24.14 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.59 60.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 91' ' ' VAL . 1.8 mm? -96.65 -28.09 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -16.61 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -94.36 -18.44 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.18 -144.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.61 -147.91 5.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -55.52 -51.59 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.33 104.87 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 84' ' ' LEU . 10.7 t -113.24 136.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -105.33 101.19 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.434 ' CG2' HD13 ' A' ' 64' ' ' ILE . 5.2 mp -101.71 108.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.44 101.39 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.3 162.8 23.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.26 114.6 21.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.32 95.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -135.78 87.07 26.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.4 7.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' OG ' ' A' ' 103' ' ' SER . 3.2 mt-10 -53.89 -32.79 54.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.9 mm-40 -86.2 -51.83 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.507 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -51.12 -28.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 100' ' ' GLU . 60.8 p -55.34 -27.93 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -63.5 -25.31 68.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 14.3 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.0 mt-10 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.0 135.05 18.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -118.4 134.57 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 4.4 ttpt -74.31 107.63 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.71 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -101.07 114.03 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 58' ' ' LEU . 1.2 mm? -105.59 144.24 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -100.05 102.14 13.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' CG ' HD13 ' A' ' 28' ' ' LEU . 9.7 mtmt -46.44 113.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.52 -48.99 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 -62.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -63.27 -54.91 29.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -139.14 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.4 mm? -91.56 -10.12 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.01 10.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.2 p90 -162.35 144.61 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.03 176.29 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.91 151.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.481 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.0 m -134.1 177.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -159.42 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.81 33.86 6.21 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' ' N ' ' A' ' 38' ' ' GLY . 2.9 mt-10 -126.66 119.42 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 43.82 28.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.9 60.31 8.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.46 -31.68 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.28 142.62 5.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.8 mm -85.86 154.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 67.7 m-85 -155.78 152.28 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.604 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 61.4 t -70.78 136.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.481 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -101.57 -35.61 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 36.2 t80 -161.36 164.35 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.26 122.03 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.5 tp -58.93 152.81 18.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.54 110.95 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.36 -14.14 36.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.04 -178.15 13.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.94 -33.17 4.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.64 -25.18 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.58 -57.32 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.9 mt -48.55 -55.72 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -40.38 -44.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 -2.06 86.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.13 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -72.65 142.97 48.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -169.19 166.23 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -58.59 116.01 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.36 33.11 1.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.51 151.12 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 46.7 ttt-85 -114.17 99.8 7.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.67 129.27 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 17.9 mt -110.34 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 4.3 p -142.86 156.12 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -127.48 115.86 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 63.48 31.9 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.97 43.4 27.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 66' ' ' SER . 98.0 t -123.83 125.46 71.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -67.57 113.25 5.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.0 mt -130.88 14.3 5.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -44.66 -69.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.45 39.83 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.03 147.86 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.4 p -65.71 174.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -61.92 -60.74 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -45.22 -25.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.12 -40.37 19.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -74.17 -48.12 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.12 29.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.85 -15.79 63.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 91' ' ' VAL . 2.0 mm? -97.02 -18.07 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -24.85 23.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.34 -7.99 46.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -73.45 -141.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.7 -140.18 2.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -51.51 20.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.99 96.82 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 87' ' ' ALA . 17.3 t -108.81 124.29 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.403 ' CG2' ' CG ' ' A' ' 18' ' ' LYS . 29.3 m -91.69 100.94 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 91' ' ' VAL . 5.1 mp -98.89 104.88 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.58 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.89 141.65 51.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' NE2' HD12 ' A' ' 65' ' ' LEU . 3.5 pt20 -106.75 123.9 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -57.14 100.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -119.88 89.42 42.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.69 19.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.2 -33.04 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.4 mm-40 -85.71 -68.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 22.1 t80 -36.75 -33.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . 71.8 p -46.29 -43.62 15.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 31.5 mtt-85 -49.73 -37.45 29.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD2' HG21 ' A' ' 33' ' ' VAL . 26.4 m-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.429 1.752 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -100.81 145.71 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -79.34 111.7 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 93' ' ' ILE . 3.1 mt -114.31 131.4 66.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.6 103.16 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 93' ' ' ILE . 1.4 mm? -98.87 137.61 37.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -102.7 104.12 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CG ' HD12 ' A' ' 28' ' ' LEU . 9.5 mtmt -42.35 112.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.61 -57.41 1.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -55.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.3 p -89.17 57.01 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.24 -136.48 32.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.9 mm? -91.94 -9.14 44.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.85 7.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.2 p90 -169.53 143.36 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.0 174.67 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -143.79 152.87 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -141.77 172.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.25 -154.61 19.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 86.79 2.5 84.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 1.6 mm-40 -86.25 101.14 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 4.5 m-20 82.67 -49.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.9 43.26 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.24 -18.78 41.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.76 171.48 13.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.3 mm -114.66 149.21 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 43.4 m-85 -150.34 149.0 29.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 19.8 t -67.77 138.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.528 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -99.82 -17.43 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 45.3 t80 178.23 162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 1.1 mt -132.86 115.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 5.3 tp -48.76 153.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.53 111.77 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.9 54.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -65.72 178.73 11.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 -32.66 5.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.86 -15.2 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.54 -50.77 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.7 mt -54.98 -50.33 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.3 m -40.36 -49.35 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.29 -7.87 69.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mt-10 -89.83 -59.6 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 30' ' ' PHE . 4.2 tp -67.19 129.05 38.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' NE ' ' CE1' ' A' ' 97' ' ' TYR . 1.2 ppt_? -137.2 159.04 43.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.48 ' O ' ' CZ ' ' A' ' 59' ' ' ARG . 11.5 ttt180 -70.51 102.6 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 59' ' ' ARG . . . 135.04 -10.39 4.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.09 148.47 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.551 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 45.5 ttt180 -97.97 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 93' ' ' ILE . 4.7 mm -68.58 98.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD2' ' O ' ' A' ' 63' ' ' ARG . 4.0 mm? -72.3 -55.93 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -145.44 157.73 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.0 t -127.79 137.78 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 39.78 28.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 78.18 56.83 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -133.18 143.01 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -88.63 109.96 20.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 73' ' ' ARG . 15.7 mt -121.16 -3.3 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LEU . 8.1 mtp180 -36.99 -35.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.28 49.46 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.43 146.68 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.442 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 61.1 p -64.57 178.62 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' N ' ' HA3' ' A' ' 35' ' ' GLY . 13.3 t-160 -64.61 -54.2 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.51 -40.95 79.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -63.66 -34.72 78.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.71 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.72 -42.97 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.33 -19.48 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.62 -17.29 56.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -96.2 -14.31 22.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -23.61 23.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -90.56 -14.59 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 91' ' ' VAL . . . -63.51 -140.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.0 -148.43 7.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.76 -51.45 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.89 100.94 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 4.1 t -111.1 140.91 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 99.3 m -107.05 101.16 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.454 HG22 ' CD1' ' A' ' 64' ' ' ILE . 3.6 mp -98.22 113.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.57 100.98 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.5 155.48 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -119.26 128.13 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE1' ' NE ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -59.96 94.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 88.41 52.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.65 18.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.12 -44.86 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.13 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 9.0 t80 -37.29 -36.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' TYR . 2.2 t -38.81 -41.85 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -52.27 -52.03 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.52 ' CZ ' HG23 ' A' ' 33' ' ' VAL . 56.5 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 156.67 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -179.41 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 122.68 47.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.9 mt -126.0 107.92 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.86 106.39 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 19' ' ' ILE . 1.7 mm? -100.94 136.18 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -95.15 107.43 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.573 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -51.56 110.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.75 -66.08 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 -45.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -121.91 63.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.08 164.76 24.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 30' ' ' PHE . 29.3 mt -63.21 -71.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.91 49.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 28' ' ' LEU . 10.4 p90 -172.55 152.51 2.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 2.9 t-20 -95.03 171.73 8.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 1.6 pt -140.79 153.98 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 105' ' ' PHE . 3.8 m -140.06 174.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.05 -166.91 13.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.17 37.17 4.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.77 116.13 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 43.76 38.8 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 63.68 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -93.14 -29.56 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 131.01 -172.23 20.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' ILE . 6.6 mm -131.32 135.76 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 66.6 m-85 -138.66 156.58 47.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 40.1 t -76.49 136.66 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.476 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -101.01 -15.63 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 16.5 t80 -179.96 160.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.528 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -128.47 124.2 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 10.0 tp -53.04 156.17 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.29 123.4 36.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.73 -0.74 60.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.46 -174.02 18.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.96 -36.27 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -23.27 63.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -56.55 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' SER . 15.2 mt -47.31 -56.85 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.1 p -38.69 -44.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.96 -16.76 45.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.06 -54.54 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -70.33 123.4 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -137.85 150.62 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 31.1 ttp180 -66.64 104.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 143.77 -21.84 2.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.17 173.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -124.35 105.63 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 16.0 mm -62.2 122.82 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 25.6 mt -99.76 -54.41 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 5.1 p -138.15 160.17 40.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.8 t -123.21 106.67 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 t-20 75.0 -55.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.16 35.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.5 p -116.48 143.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.05 103.05 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -113.0 14.49 19.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -43.99 -38.49 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -138.96 50.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.53 166.59 10.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.2 p -73.38 173.77 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 32' ' ' ILE . 11.4 t-160 -66.62 -51.34 57.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.17 -37.82 81.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.9 -50.48 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.12 64.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.2 -40.27 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.08 63.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.92 -19.82 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.64 -21.58 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -21.78 31.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -12.38 28.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -143.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.82 -144.77 4.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.89 -51.37 40.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.44 93.34 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.4 HG11 ' CD1' ' A' ' 93' ' ' ILE . 19.3 t -103.19 122.43 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.2 m -91.96 101.12 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 28' ' ' LEU . 2.0 mp -98.96 119.72 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -101.36 100.99 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -120.64 165.95 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -129.49 117.67 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 97.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.03 83.58 45.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.04 18.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.6 -28.78 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.6 mm-40 -87.87 -67.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 76.8 t80 -40.03 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . 13.1 t -38.63 -44.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -52.05 -52.94 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CD2' HG21 ' A' ' 33' ' ' VAL . 25.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.2 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 140.34 25.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.8 ptm180 -122.74 136.24 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 112.53 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.2 mt -114.67 112.5 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.23 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -94.6 136.96 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -103.3 99.41 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -42.15 112.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.15 -42.89 6.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.31 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.5 p -45.83 -31.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 -140.72 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 19.3 mt -93.95 -8.96 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 28.25 26.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 28' ' ' LEU . 2.4 p90 -167.23 144.42 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.33 176.3 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.35 155.3 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.603 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.1 m -143.01 169.72 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.55 177.39 38.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 114.62 35.0 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.03 109.92 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.57 18.41 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.96 66.77 2.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -101.0 -22.83 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.62 171.53 13.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.3 mm -118.63 148.2 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 33.4 m-85 -152.15 141.72 21.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -59.89 141.93 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.603 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.2 -32.53 10.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 35.6 t80 -164.15 166.78 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.531 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -134.33 124.58 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.0 tp -66.9 152.22 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.93 111.18 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.19 -12.93 40.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.87 -177.62 15.22 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 -28.47 9.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.37 -40.59 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -58.25 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.7 mt -47.01 -53.32 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 14.3 p -39.65 -40.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.04 -6.73 61.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -88.87 -55.23 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -67.46 145.72 54.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -149.43 156.63 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 46' ' ' ILE . 2.9 ttm180 -69.62 112.67 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.486 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 126.59 -23.4 5.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.24 153.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 43.5 ttt180 -108.92 105.22 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -59.82 132.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 34.0 mt -111.74 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 31.3 p -147.28 153.95 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.3 t -128.04 131.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 49.1 21.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 84.27 51.45 3.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.6 p -127.25 146.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -88.76 109.79 20.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' ARG . 25.3 mt -119.02 -0.88 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' LEU . 3.2 mtp-105 -37.36 -40.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.52 51.43 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 152.81 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.441 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 14.1 p -76.53 166.6 23.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -52.76 -40.45 63.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ALA . 18.5 tt0 -65.46 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -47.4 -44.13 24.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.09 73.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -81.01 -30.96 34.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -66.46 -25.1 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.08 -16.64 60.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 28' ' ' LEU . 1.6 mm? -97.01 -29.22 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -78.15 -26.32 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -11.89 43.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 91' ' ' VAL . . . -70.54 -143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.04 -126.05 0.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.54 -50.95 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.27 94.24 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 87' ' ' ALA . 12.6 t -107.63 139.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -101.71 100.64 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 91' ' ' VAL . 3.8 mp -97.79 111.01 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.29 100.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.98 158.19 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.8 pt20 -126.48 123.38 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.48 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.1 83.75 50.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -41.42 -53.28 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 3.1 mt-10 -67.59 -62.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.5 t80 -41.4 -35.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t -48.62 -29.71 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -62.16 -29.95 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.478 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptp85 -95.06 174.83 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 131.25 53.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 17' ' ' ARG . 4.3 mt -132.55 136.87 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt -120.26 95.48 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 93' ' ' ILE . 1.7 mm? -88.6 136.9 32.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -102.26 102.77 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.556 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -40.75 111.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.6 -60.09 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.31 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -75.12 -47.26 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 -133.4 2.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.5 mm? -93.97 -8.45 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.4 9.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.5 p90 -174.14 151.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.2 168.98 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.48 157.29 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.1 m -139.79 177.6 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.6 -156.34 17.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.91 35.88 6.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.38 117.32 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 42.09 38.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.17 54.62 14.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 1.1 pp20? -80.92 -26.9 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 124.1 153.04 8.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.446 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.8 mm -100.38 142.46 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 38.4 m-85 -144.06 158.73 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 28.2 t -78.41 132.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.537 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -95.91 -26.81 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 50.6 t80 -167.41 161.7 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.1 mm -132.49 118.17 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.43 149.47 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.26 113.94 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.58 -8.67 62.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.31 -177.67 13.54 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.85 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -96.38 -56.42 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.4 mt -49.52 -55.27 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 m -40.44 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.88 2.56 71.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mm-40 -95.09 -57.15 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 30' ' ' PHE . 2.6 tp -69.08 129.36 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -143.53 141.51 30.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 13.6 ttp-105 -51.24 119.27 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.4 -18.65 8.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.22 128.89 38.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 15.6 ttt180 -82.3 116.14 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.0 103.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 16' ' ' PRO . 4.6 mm? -71.84 -55.53 7.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.412 ' OG ' ' HA ' ' A' ' 71' ' ' ASN . 44.4 m -148.13 163.96 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' VAL . 2.2 t -127.51 138.77 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 40.23 33.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 74.67 47.96 14.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' VAL . 79.7 t -129.39 110.72 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' OG ' ' A' ' 66' ' ' SER . 3.4 t-20 -53.65 103.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 14.8 mt -101.45 2.51 39.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -37.72 -70.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -100.17 41.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -100.14 142.5 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 p -76.59 162.88 27.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.61 -48.95 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.21 -40.87 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . . . -66.18 -30.36 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.85 -45.55 18.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.77 -27.47 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.31 -19.29 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.74 -32.32 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -70.86 -18.1 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.67 -21.98 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -61.79 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.01 -146.78 6.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.79 -51.55 68.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.69 109.55 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 87' ' ' ALA . 4.8 t -121.24 131.05 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 m -97.85 101.24 12.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.456 ' CD1' HD21 ' A' ' 21' ' ' LEU . 2.0 mp -97.14 115.04 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.77 101.69 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -129.41 152.73 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.2 pt20 -111.8 127.04 55.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -125.29 82.4 62.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.07 17.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.38 -36.56 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.3 mm-40 -76.65 -68.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' SER . 32.3 t80 -38.73 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 28.2 t -38.74 -42.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -53.36 -53.19 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.463 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 18.4 Cg_endo -74.99 115.26 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' CG ' HD12 ' A' ' 19' ' ' ILE . 1.9 ptm180 -91.7 140.93 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -73.59 109.44 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' A' ' 57' ' ' GLU . 7.5 mt -113.05 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -87.33 107.73 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' A' ' 58' ' ' LEU . 87.0 mt -105.08 141.07 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 30.4 m80 -100.95 102.39 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.653 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.4 mtmt -39.86 111.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.36 -44.69 21.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.06 -60.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.3 p -67.28 -51.75 48.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.1 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.4 mm? -90.33 -9.77 46.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.44 34.36 12.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' A' ' 28' ' ' LEU . 2.2 p90 -161.01 147.34 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.89 173.62 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 77' ' ' HIS . 7.9 pt -143.19 150.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.3 m -136.5 176.8 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 -153.99 16.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 32.2 11.09 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 3.5 mt-10 -124.49 121.29 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 40.88 32.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 56.53 47.22 85.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -74.16 -24.38 59.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 119.86 166.41 13.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.5 mm -106.23 145.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 m-85 -147.33 155.26 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 50.6 t -74.27 134.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.54 -29.36 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.7 t80 -169.76 162.88 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -127.17 119.02 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.4 tp -57.31 151.95 15.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.47 111.4 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 109.73 -16.28 31.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.87 -176.16 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.96 -31.67 6.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -72.1 -9.56 58.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -110.91 -54.35 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 84.6 mt -58.33 -53.13 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 20.8 t -46.49 -25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 84.03 -8.25 67.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.484 ' HB3' HG12 ' A' ' 19' ' ' ILE . 3.1 mm-40 -97.88 178.11 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 58.27 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -176.18 158.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 ttt-85 -58.86 119.07 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.28 31.53 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 47.2 ttt-85 -66.68 119.76 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mm -75.8 98.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 95' ' ' ALA . 4.0 mm? -70.39 -55.49 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -145.15 161.33 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 72' ' ' LEU . 2.5 t -127.47 108.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 64.43 37.36 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 38.84 50.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.8 116.38 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.5 115.11 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 67' ' ' VAL . 22.4 mt -128.56 15.23 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.4 mtp180 -39.24 -55.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -119.08 63.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.04 148.33 41.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -67.2 149.23 50.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.422 ' NE2' HG13 ' A' ' 32' ' ' ILE . 23.0 t-160 -42.91 -42.28 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' ALA . 10.4 tt0 -63.02 -53.07 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -47.89 -49.77 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.16 63.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -84.68 -47.43 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -29.45 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.02 -15.31 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.2 mt -93.03 -34.61 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -24.03 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -13.16 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.446 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -66.5 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -175.29 -150.45 7.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.08 -51.72 62.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.17 95.33 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 87' ' ' ALA . 6.2 t -110.11 119.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.3 m -87.45 100.22 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.0 mp -94.54 106.79 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -98.81 101.39 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HA ' HD21 ' A' ' 65' ' ' LEU . . . -126.77 154.45 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.45 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -124.62 128.03 48.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.45 156.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.56 88.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -48.42 -36.19 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.66 -69.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -41.62 -36.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.6 p -47.42 -32.09 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -59.27 -25.74 64.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.459 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.99 137.57 21.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -113.34 142.52 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -76.09 107.21 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 57' ' ' GLU . 3.5 mt -104.44 89.04 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.74 103.43 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -100.9 147.01 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' LYS . 57.3 m170 -114.45 95.85 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 5.4 mttm -39.33 119.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.49 -38.94 7.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m 172.0 -64.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 p -55.51 -32.83 63.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.18 -141.27 8.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 67.3 mt -94.3 -12.01 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 31.5 53.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -163.62 142.33 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.0 176.59 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 2.6 pt -139.94 163.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -148.48 177.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.91 -162.83 13.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.35 29.8 8.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -120.81 117.87 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 50.12 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.83 58.62 13.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -88.5 -24.48 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.34 171.11 13.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.28 143.97 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 101' ' ' GLU . 60.8 m-85 -144.21 156.46 44.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -74.45 133.72 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.555 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -94.23 -33.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 73.7 t80 -164.53 165.02 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.3 mm -135.5 120.27 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 48' ' ' ALA . 3.1 tm? -61.84 139.37 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' C ' HD13 ' A' ' 47' ' ' LEU . . . -85.5 108.45 17.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.02 -9.95 31.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.4 -172.68 15.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 -32.99 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 28' ' ' LEU . . . -69.64 -39.77 76.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 15.1 mt -45.76 -57.76 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 86.4 p -44.41 -43.69 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.81 -9.19 63.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 19' ' ' ILE . 18.7 mm-40 -73.39 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -68.65 137.96 54.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -141.83 144.19 33.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 116.7 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.66 8.67 12.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 140.12 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 9.9 ttt180 -91.52 111.77 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.497 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 13.1 mm -67.5 104.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -74.01 -56.19 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.3 p -143.73 158.88 43.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' GLY . 2.2 t -128.01 137.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' VAL . 21.2 t-20 39.43 29.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 78.04 57.27 3.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -134.61 144.87 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -87.75 110.31 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' ASN . 12.6 mt -122.65 -1.19 9.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 32.7 mtp85 -37.22 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' LEU . 21.1 m-80 -137.96 57.11 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.99 160.53 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.4 p -87.13 158.41 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.541 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t-160 -41.86 -50.94 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.87 -56.51 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -50.46 -48.95 56.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.36 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.57 32.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.8 -18.98 9.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HA ' ' CD ' ' A' ' 86' ' ' ARG . . . -80.31 -27.79 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 28' ' ' LEU . 2.0 mm? -87.23 -14.46 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -26.15 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -89.96 -8.26 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -75.87 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.55 -138.65 2.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.4 -52.5 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.09 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 87' ' ' ALA . 10.6 t -108.12 133.29 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.556 ' CG2' ' CG ' ' A' ' 18' ' ' LYS . 99.9 m -100.16 99.99 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.497 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -97.17 108.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.2 t -96.5 101.56 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.46 150.4 48.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.6 pt20 -110.19 130.83 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.44 95.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -129.56 85.11 59.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.54 18.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.574 1.828 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.76 -44.69 96.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -68.76 -61.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 24.4 t80 -36.43 -35.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 t -39.24 -35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -59.06 -50.57 73.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' TYR . 39.7 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.47 ' C ' ' HG2' ' A' ' 96' ' ' GLN . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CA ' ' HG3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.99 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -78.87 130.43 35.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 5.8 tttt -73.13 98.4 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 93' ' ' ILE . 3.5 mt -97.58 141.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 mt -124.98 92.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 137.79 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 89' ' ' GLN . 24.9 m-70 -103.69 96.42 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.608 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' CG ' HD22 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -41.35 110.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.14 -63.45 2.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.93 -50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -66.47 -47.36 73.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.22 -143.24 6.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 16.3 mt -93.85 -9.25 37.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.59 42.45 17.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.2 p90 -177.9 149.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.24 173.17 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 pt -131.86 159.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.6 m -143.31 177.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.02 -161.62 28.1 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.93 15.42 39.36 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.33 129.38 56.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 46.16 34.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.39 53.88 7.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.73 -33.08 23.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.63 -173.51 22.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.9 mm -132.82 140.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 34.0 m-85 -147.09 151.95 37.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.0 t -68.46 135.72 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.19 -30.02 14.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 55.9 t80 -166.11 165.2 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.61 117.2 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.4 tp -55.37 152.65 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.49 109.65 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.67 -8.05 46.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -177.87 14.14 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 -34.68 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 58' ' ' LEU . . . -70.83 -21.7 62.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -96.34 -53.07 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' SER . 26.7 mt -54.39 -54.56 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' LEU . 30.8 t -37.06 -39.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.48 9.74 81.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.91 -69.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.495 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 5.9 tp -57.88 132.35 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -143.93 145.72 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -51.91 102.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.03 44.86 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 0.5 OUTLIER -122.7 135.55 54.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -84.85 116.33 23.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.515 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 mm -75.84 119.36 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 4.3 mm? -92.2 -56.69 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 p -142.77 160.97 39.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 2.3 t -123.93 114.33 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.33 30.63 19.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.02 39.52 16.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.89 117.7 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.56 120.39 9.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -139.0 14.7 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -40.17 -54.58 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -119.67 62.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.55 151.43 37.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.9 p -65.0 154.7 36.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -46.67 -45.17 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ALA . 8.1 tt0 -63.23 -52.08 63.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.54 -25.82 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -88.81 -45.93 9.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.15 -25.89 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -71.75 -22.12 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -90.56 -14.14 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -22.67 20.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -9.61 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . . . -71.83 -143.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.51 -124.91 0.75 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.2 mt-30 -89.26 -53.17 4.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.77 94.75 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 15.1 t -109.31 132.03 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.501 ' CG2' ' HG2' ' A' ' 18' ' ' LYS . 6.6 m -95.14 100.77 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' ILE . 5.2 mp -95.86 111.46 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 16' ' ' PRO . 5.0 t -103.22 101.38 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . . . -134.36 151.56 51.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.489 ' OE1' ' CD2' ' A' ' 65' ' ' LEU . 17.1 mt-30 -90.29 155.79 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.45 75.3 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -119.42 90.06 41.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.46 20.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.53 -38.23 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.47 -55.21 5.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.7 t80 -42.74 -35.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.9 p -47.69 -31.34 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -59.09 -24.0 62.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 15.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 15' ' ' GLU . 18.5 Cg_endo -74.98 115.83 4.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 97' ' ' TYR . 1.7 ptp85 -89.95 173.33 8.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -110.68 122.52 48.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 57' ' ' GLU . 3.1 mt -120.48 102.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.1 100.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 ' CD1' HD23 ' A' ' 58' ' ' LEU . 28.8 mt -99.09 131.91 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -95.76 105.78 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.627 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 87' ' ' ALA . 6.2 mtmt -42.27 110.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.56 -61.44 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -71.26 -51.44 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.73 -136.23 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.6 mm? -93.68 -10.2 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.54 45.49 9.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' HD21 ' A' ' 58' ' ' LEU . 2.0 p90 -169.21 147.65 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.38 174.63 5.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -138.12 158.56 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 5.0 m -143.12 176.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.02 -161.14 15.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.14 29.95 7.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -123.54 125.98 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 42.02 31.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.16 56.24 10.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.3 -35.44 25.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.73 160.91 8.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 mm -100.65 146.06 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 42.6 m-85 -143.35 162.33 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.583 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 47.0 t -80.41 133.31 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.507 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.92 -23.04 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 74.2 t80 -177.78 167.44 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 2.2 mm -133.78 120.42 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD11 ' CA ' ' A' ' 50' ' ' GLY . 2.8 tm? -55.4 138.3 46.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -78.28 118.33 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . 93.26 -11.1 72.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' HD11 ' A' ' 47' ' ' LEU . . . -63.98 -179.19 5.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.37 8.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.5 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 30.6 t0 -84.07 -58.33 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 22.4 mt -46.49 -50.35 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.1 p -48.94 -44.71 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.91 -18.73 37.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.463 ' CB ' HG12 ' A' ' 19' ' ' ILE . 6.8 mm-40 -72.66 -53.09 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -79.11 122.71 26.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -142.85 148.47 37.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 22.3 ttp-105 -54.31 125.76 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.526 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 121.68 -23.3 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.12 161.1 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -117.05 95.75 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -52.54 127.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 96' ' ' GLN . 23.0 mt -112.89 -47.58 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -148.24 150.67 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.042 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 83' ' ' ALA . 4.4 t -125.0 114.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 62.6 44.28 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.39 46.15 93.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.1 t -126.03 118.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.5 115.2 5.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -137.28 18.56 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -40.83 -69.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -103.99 52.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.5 147.63 27.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -64.64 160.87 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -49.51 -37.46 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' ALA . 14.1 tt0 -71.58 -53.65 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -48.65 -36.01 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.13 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -80.6 -34.56 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.61 -20.75 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 67' ' ' VAL . . . -82.81 -48.31 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.62 -17.6 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -45.23 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.04 -7.22 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.535 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -67.5 111.38 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.471 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -72.95 -161.59 6.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -55.58 -52.13 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.76 97.96 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.535 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 2.5 t -105.26 134.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -101.69 101.95 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.06 117.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.95 102.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 156.75 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.478 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 4.0 mt-30 -104.8 108.61 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -52.47 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' GLN . 5.9 mmt180 -131.93 89.44 38.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.7 19.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.57 -37.29 82.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.8 mm-40 -74.36 -61.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.9 t80 -39.29 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 29.5 t -38.19 -44.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -51.04 -53.89 29.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HB3' ' CD2' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 121.67 6.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -93.52 176.03 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 125.95 51.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 21' ' ' LEU . 5.1 mt -131.52 125.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.49 103.27 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 19' ' ' ILE . 1.6 mm? -99.0 136.17 39.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.7 m80 -99.83 101.7 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' CG ' HD11 ' A' ' 28' ' ' LEU . 18.2 mtmt -40.08 113.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.8 -71.61 1.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 68.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 p 50.78 49.14 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.75 159.93 21.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 2.1 mm? -83.78 -9.8 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.8 45.43 6.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 2.3 p90 -169.34 146.08 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.51 172.81 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -139.85 151.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.549 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.2 m -139.38 179.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.52 165.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' HIS . . . 131.15 65.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.2 mt-10 -134.87 108.31 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 16.1 m-20 68.75 -65.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -168.54 28.23 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 42' ' ' PHE . . . 155.53 124.2 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.563 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 10.4 mm -75.72 157.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' ARG . 98.3 m-85 -164.27 149.06 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 39.5 t -72.97 127.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -90.61 -17.14 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 47' ' ' LEU . 27.3 t80 178.24 163.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -130.98 110.13 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 5.8 tp -40.4 154.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.93 116.99 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.65 -8.01 77.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.85 179.64 10.33 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.407 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 -34.19 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.05 -58.21 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.83 -50.17 18.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -45.16 -45.64 11.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.01 -27.63 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' CB ' HG12 ' A' ' 19' ' ' ILE . 16.0 mt-10 -66.54 -56.48 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 1.2 tp -67.88 123.12 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -139.96 142.33 36.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 21.3 ttp-105 -49.24 129.09 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.4 -26.24 9.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -66.17 126.55 29.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.573 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.3 ttp85 -81.73 128.36 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 67' ' ' VAL . 35.4 mm -73.08 87.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' ' 16' ' ' PRO . 2.3 mm? -63.65 -55.54 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 21.0 p -144.51 151.78 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 64' ' ' ILE . 2.5 t -128.01 141.27 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' VAL . 26.2 t-20 39.57 29.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 76.54 53.76 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -129.14 146.53 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.76 111.64 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 18.3 mt -123.68 3.61 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -38.66 -60.98 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -108.01 41.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -98.92 166.37 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 p -83.58 -164.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t-160 -82.04 -45.86 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.579 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.65 -38.34 86.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -41.8 88.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.24 -45.54 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.38 -17.48 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.04 47.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -96.49 -16.7 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -16.51 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -15.13 25.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 91' ' ' VAL . . . -72.26 -144.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.04 -144.96 5.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.55 -51.86 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 106.52 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 87' ' ' ALA . 3.1 t -120.99 125.96 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -94.82 100.23 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.416 ' CD1' HD21 ' A' ' 21' ' ' LEU . 3.8 mp -95.44 113.87 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 39.8 t -103.11 101.21 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ARG . . . -122.89 161.61 23.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 1.7 pt20 -118.54 113.17 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.83 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -137.69 85.81 19.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.5 Cg_endo -74.98 -33.74 4.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.0 -34.05 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -80.27 -60.82 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 105' ' ' PHE . 78.4 t80 -57.78 -17.02 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' PRO . 7.5 t -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -55.35 -45.98 76.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 102' ' ' TYR . 24.8 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.99 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptp85 -83.08 175.11 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -101.91 128.29 48.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.513 HD11 ' CD ' ' A' ' 17' ' ' ARG . 6.0 mt -133.35 111.86 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.36 99.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 58' ' ' LEU . 71.1 mt -95.4 139.2 32.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 12.2 m170 -103.47 102.84 12.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.8 mtmt -39.19 110.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.86 -57.4 5.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 -57.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.9 p -72.64 -49.91 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.78 -145.7 5.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 mm? -86.91 -9.04 56.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.76 42.48 8.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.3 p90 -168.67 148.67 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.18 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.1 152.45 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.0 OUTLIER -139.2 162.77 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.67 -148.24 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.76 38.55 11.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -132.82 120.42 21.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 t0 46.33 27.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.63 71.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.37 -32.9 66.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.17 160.5 9.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.7 mm -105.08 139.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 13.0 m-85 -138.92 159.07 43.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 26.7 t -79.53 136.61 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.81 -37.53 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 76.2 t80 -157.54 167.55 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -134.59 118.56 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD13 ' CA ' ' A' ' 50' ' ' GLY . 2.9 tm? -53.84 138.55 35.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.33 -13.31 60.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.26 -177.32 9.55 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -32.33 5.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.82 66.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 53' ' ' ASP . 27.4 t0 -89.25 -58.16 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 19.8 mt -47.91 -55.26 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -39.56 -50.11 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.66 -2.02 79.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.18 -46.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -83.31 124.19 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' NH2' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -138.92 161.38 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 30.6 ttp180 -66.41 82.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' ' NH2' ' A' ' 59' ' ' ARG . . . 149.32 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.38 111.22 11.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -61.62 124.81 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' ILE . 14.7 mm -80.01 99.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.89 -55.45 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.4 p -146.14 167.12 24.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.047 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.556 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -130.47 131.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' VAL . 4.1 t-20 39.12 29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 86.03 47.91 4.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 74.1 t -122.18 119.88 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -70.89 105.65 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ASN . 96.0 mt -121.56 10.94 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.3 mtp180 -38.23 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 4.1 m120 -147.48 69.17 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.41 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -122.57 173.91 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.4 p -90.05 166.87 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -55.69 -48.64 74.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -62.36 -53.04 60.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -49.75 -31.33 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.66 -41.3 46.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.64 -43.29 76.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.79 -27.52 63.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -73.45 -30.54 63.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.408 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 50.3 mt -85.36 -22.8 28.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.52 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -8.62 52.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . . . -65.9 -135.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.66 -144.8 5.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -70.6 -52.67 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.98 103.06 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 3.5 t -117.36 136.71 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.0 m -104.14 101.09 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.61 118.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -104.77 101.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.38 156.94 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -123.75 131.63 53.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -50.73 156.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.42 92.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -45.8 -60.0 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.0 -70.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 20.0 t80 -41.82 -35.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -23.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -32.02 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' A' ' 33' ' ' VAL . 32.5 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 129.54 12.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -113.38 131.37 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.85 108.43 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' ILE . 4.5 mt -107.9 127.65 63.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.04 108.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 52' ' ' ALA . 22.2 mt -105.25 144.88 31.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 33.8 m170 -109.37 97.91 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' CG ' HD11 ' A' ' 28' ' ' LEU . 8.0 mtmt -38.6 113.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.39 -71.9 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.438 ' C ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -102.42 -69.35 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 25' ' ' SER . 23.1 p -151.03 40.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.09 168.06 41.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.2 mm? -88.48 -9.83 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.22 45.95 7.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -172.94 147.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -102.52 172.24 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' C ' ' CG1' ' A' ' 33' ' ' VAL . 1.3 pt -142.57 167.55 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -149.55 173.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.56 -163.83 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.26 33.92 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' GLY . 3.2 mm-40 -127.61 120.64 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 45.0 27.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.11 56.41 19.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.36 -32.85 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.14 152.03 6.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 20.6 mm -93.62 147.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 31.6 m-85 -147.95 150.33 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG2' ' OD1' ' A' ' 62' ' ' ASP . 11.4 t -71.04 130.81 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -94.1 -16.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 63.4 t80 177.2 166.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.498 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.6 mm -132.05 121.62 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD12 ' CA ' ' A' ' 50' ' ' GLY . 2.9 tm? -56.75 138.79 52.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' C ' HD13 ' A' ' 47' ' ' LEU . . . -80.35 118.99 22.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.03 63.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -64.66 -179.0 6.6 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -31.37 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -71.99 -17.83 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -98.37 -58.66 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 24.8 mt -49.05 -50.85 34.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.2 p -41.5 -47.06 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.79 -17.02 58.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.97 -66.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.18 124.7 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -143.14 143.61 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 5.8 ttm180 -50.07 131.59 23.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 100.8 25.43 8.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD1' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -93.76 163.62 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 62.1 ttt180 -114.33 87.08 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.496 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 17.8 mm -51.76 132.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 33.1 mt -113.53 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.5 p -155.21 166.14 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.572 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -129.8 133.78 64.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.5 t-20 38.8 30.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 85.39 45.64 5.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.572 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 88.1 t -118.15 112.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -67.82 107.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 HD11 ' CG1' ' A' ' 67' ' ' VAL . 8.0 mt -131.1 20.36 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -42.58 -31.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.9 72.97 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.48 179.31 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.1 p -92.8 157.93 16.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 4.7 t-160 -48.79 -49.35 39.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.9 -54.71 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.35 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.02 -44.04 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.76 -31.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.547 ' HB1' ' CG1' ' A' ' 67' ' ' VAL . . . -66.79 -58.67 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.51 -18.01 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 -39.1 20.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 1.1 ptt85 -82.67 -8.39 59.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . . . -64.5 -136.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.57 -143.41 5.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -71.64 -52.72 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 97.71 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 4.7 t -112.06 132.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ASN . 54.7 m -101.12 99.6 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' ILE . 5.4 mp -91.82 121.62 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.96 100.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.507 ' CB ' ' OD2' ' A' ' 62' ' ' ASP . . . -133.27 152.03 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' A' ' 65' ' ' LEU . 4.4 pt20 -116.5 124.95 51.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.57 150.67 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.84 86.5 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.88 6.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.17 -54.57 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 4.0 mm-40 -64.65 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -43.23 -33.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -50.84 -30.08 13.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -61.19 -27.6 68.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.58 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.03 133.28 16.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -110.09 141.51 42.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 8.0 ttpt -73.75 108.2 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.481 HG12 ' CB ' ' A' ' 57' ' ' GLU . 3.3 mt -104.47 90.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.29 98.38 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.92 142.97 29.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' LYS . 49.0 m80 -109.32 100.57 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' HIS . 10.0 mtmt -38.17 114.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.98 -72.03 0.7 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -56.43 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 26' ' ' THR . 1.6 t -158.1 25.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.28 161.36 29.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 77.4 mt -93.29 -9.35 39.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.04 42.9 11.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.2 p90 -177.54 146.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.72 176.99 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.48 159.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.5 m -139.92 177.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 -171.83 25.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.5 6.89 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -118.12 117.7 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 55.75 39.54 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.32 55.86 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -86.97 -31.48 20.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.82 -168.85 22.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.6 mm -131.13 149.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 62.2 m-85 -151.08 148.75 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 47.7 t -64.17 139.16 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -103.1 -38.8 7.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.7 t80 -158.23 165.34 35.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.65 121.57 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -63.79 151.31 42.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.422 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.99 108.98 21.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.76 -10.22 32.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.19 -175.26 21.0 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.99 -31.97 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 28' ' ' LEU . . . -67.06 -33.69 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -87.44 -57.81 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.8 mt -46.23 -58.58 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -46.16 -43.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.9 24.98 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.6 mm-40 -106.21 -48.85 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -81.5 138.38 35.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.89 150.13 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.07 113.22 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.22 5.31 9.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.28 127.68 37.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 20.3 ttt180 -79.58 118.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 HD13 ' CG2' ' A' ' 93' ' ' ILE . 8.3 mm -73.46 106.76 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.71 -55.42 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 12.8 p -146.65 157.44 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.1 t -128.04 138.22 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.5 t-20 39.64 29.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 77.78 55.84 4.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -132.17 144.46 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -88.69 109.96 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' ARG . 10.8 mt -123.62 -0.21 8.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtp180 -37.12 -37.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -136.41 49.33 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.58 162.25 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 45.6 p -80.95 164.85 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.08 -39.16 66.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.75 -56.0 16.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -54.1 -39.59 66.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.41 ' CB ' HD13 ' A' ' 41' ' ' ILE . . . -68.67 -28.68 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -80.48 -45.69 17.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.98 -24.51 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -74.69 -22.19 58.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 1.7 mm? -95.82 -23.84 16.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -25.27 24.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 -8.0 49.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -72.69 -143.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -165.17 -154.16 7.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.04 -51.92 67.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.287 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 99.17 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 87' ' ' ALA . 6.6 t -108.66 137.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' CG ' ' A' ' 18' ' ' LYS . 52.6 m -104.64 100.57 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CG2' HD13 ' A' ' 64' ' ' ILE . 5.1 mp -98.88 109.81 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.13 100.93 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . . . -127.2 152.25 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.478 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -111.26 130.84 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.66 97.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.87 82.6 49.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.46 17.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.96 -44.82 95.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.6 mm-40 -71.85 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 74.8 t80 -42.78 -33.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 t -50.75 -27.59 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.36 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 29.7 m-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.04 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -100.78 155.32 17.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -87.0 103.81 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 21' ' ' LEU . 6.0 mt -105.05 115.0 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.15 102.22 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -94.94 136.55 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -101.9 103.5 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 84' ' ' LEU . 3.9 mttm -44.79 113.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 -40.82 10.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.75 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -74.85 -46.24 37.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 -137.29 4.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mm? -92.46 -11.98 33.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.22 35.43 23.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.5 p90 -161.89 143.56 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.37 175.6 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pt -144.09 153.27 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 105' ' ' PHE . 1.7 m -144.08 160.65 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.97 -167.05 12.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.17 42.6 2.03 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.01 123.58 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.81 19.13 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.24 49.27 77.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -81.82 -19.17 41.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.21 18.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.7 mm -108.8 161.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 71.5 m-85 -157.33 146.57 20.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.53 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 53.3 t -68.51 134.63 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.463 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.31 -32.41 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 49.1 t80 -165.66 167.32 17.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -135.3 121.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.5 tp -61.24 151.26 32.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.88 110.51 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 110.16 -13.89 31.15 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -69.27 -174.54 11.02 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.99 -34.3 3.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -70.79 -7.9 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.0 -52.18 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 82.6 mt -60.04 -52.56 64.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 87.6 p -38.33 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . 91.62 4.19 68.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.4 mm-40 -121.86 -172.55 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' CD1' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER 61.13 135.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.9 mtt180 -146.69 146.55 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -58.15 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . 139.75 43.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.41 126.59 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 12.8 ttt180 -75.01 113.15 11.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.8 mm -68.17 112.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 63' ' ' ARG . 4.2 mm? -80.65 -50.96 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 26.9 p -155.69 169.25 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.572 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -128.85 123.75 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 48.89 22.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 92.93 42.97 4.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.572 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 57.8 t -117.34 115.35 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -67.3 107.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' ASN . 75.8 mt -120.45 5.14 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' LEU . 25.7 mtp180 -37.96 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.6 m120 -140.13 67.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.67 156.68 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -77.62 172.47 13.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -56.55 -56.21 24.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ALA . 3.5 tt0 -50.15 -58.6 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -47.3 -39.99 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.55 -35.61 79.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -75.71 -53.06 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.89 -22.78 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.519 ' CB ' HG13 ' A' ' 67' ' ' VAL . . . -74.64 -32.57 62.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.9 mm? -83.34 -15.99 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -25.29 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.74 -9.16 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 91' ' ' VAL . . . -72.43 -140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.21 -131.55 1.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -83.03 -52.68 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 95.1 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 87' ' ' ALA . 5.3 t -113.15 135.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 18' ' ' LYS . 26.1 m -103.39 99.79 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.65 108.73 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.87 101.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.17 147.9 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.472 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -111.79 127.43 55.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.79 84.41 63.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.09 9.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.64 -35.32 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -84.83 -49.07 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.8 t80 -56.26 -16.88 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 -50.8 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -45.87 -54.3 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CD1' HG22 ' A' ' 33' ' ' VAL . 34.3 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.4 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.07 156.83 42.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.0 -179.3 6.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 10.2 ttmt -107.31 118.89 37.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.483 HG21 ' CD2' ' A' ' 21' ' ' LEU . 8.2 mt -121.72 108.23 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 92' ' ' THR . 1.7 mt -90.86 101.6 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -95.64 135.94 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' LYS . 27.2 m-70 -109.54 93.39 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' CG ' HD23 ' A' ' 28' ' ' LEU . 2.3 mtmt -37.14 109.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.59 -70.91 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.47 75.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p 46.3 29.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.95 151.68 23.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 27.4 mt -84.01 -9.21 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.28 30.49 30.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.7 p90 -167.63 143.7 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 1.1 t-20 -95.81 176.25 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 pt -136.9 154.25 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -141.36 177.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.44 -165.98 13.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.97 27.37 5.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.79 119.03 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 41.11 32.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 55.98 51.71 53.7 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -10.07 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.23 151.05 21.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -93.84 135.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 m-85 -133.46 166.97 21.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.59 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 39.8 t -85.12 127.37 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -84.73 -34.33 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 64.3 t80 -163.54 166.6 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.3 mm -133.9 126.34 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 47' ' ' LEU . 3.1 tm? -69.47 139.41 53.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.35 106.56 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.92 -12.54 17.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -75.75 -173.09 33.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.95 -34.79 3.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . . . -68.33 -16.46 63.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.92 -53.95 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 39.5 mt -54.14 -53.78 48.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 93.7 p -38.02 -33.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 71.14 30.76 67.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 1.8 mm-40 -127.6 -64.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -56.11 146.78 21.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 10.2 mtt85 -145.77 152.19 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.2 ttp-105 -71.79 95.83 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 147.22 -23.24 1.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 160.31 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -112.64 112.07 23.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.51 134.41 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.3 mt -112.1 -54.69 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -135.6 159.58 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -119.86 102.84 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.34 -39.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 67' ' ' VAL . . . 179.64 -27.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 69' ' ' GLY . 4.4 m -53.08 -170.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.72 116.59 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.9 40.33 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -68.19 -33.16 73.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 4.5 m-20 -146.06 25.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.72 161.65 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -80.8 153.35 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -43.26 -47.35 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.43 -56.56 17.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -49.02 -47.6 44.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -35.24 78.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.66 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.45 -19.47 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' CG1' ' A' ' 67' ' ' VAL . . . -81.94 -29.38 32.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 80' ' ' ALA . 1.6 mm? -82.76 -18.96 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -28.54 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' NH2' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -93.85 -7.58 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.501 ' HB1' ' CG1' ' A' ' 91' ' ' VAL . . . -80.11 117.61 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.24 -133.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.83 -52.74 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.21 96.47 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.501 ' CG1' ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -114.33 136.25 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 20' ' ' ILE . 3.1 m -94.19 100.67 12.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 3.8 mp -91.94 113.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.8 t -99.65 101.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.62 164.44 17.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.6 pt20 -127.32 120.95 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -53.66 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -128.45 82.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.2 Cg_endo -74.98 -38.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -49.68 -22.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.62 -43.72 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 71.8 t80 -70.74 -20.94 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -40.31 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.64 -54.01 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -168.9 167.29 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 169.85 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.36 160.26 28.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.21 171.24 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 165.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.9 135.0 7.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -76.57 148.84 80.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.71 29.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.82 -106.22 3.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -154.55 -117.69 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 40.32 83.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.98 59.66 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.26 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 mt-10 -55.45 173.85 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.99 141.49 26.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -131.3 175.24 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 2.5 mttt -100.49 137.59 38.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.482 HD11 ' CD ' ' A' ' 17' ' ' ARG . 5.4 mt -136.21 89.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.06 106.25 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 58' ' ' LEU . 35.2 mt -105.23 135.41 46.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -95.76 104.83 16.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' CG ' HD11 ' A' ' 28' ' ' LEU . 2.0 mtmt -42.78 111.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 -43.77 8.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.2 p 177.18 -64.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -63.63 -35.97 82.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.31 -141.45 7.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.1 mm? -91.82 -9.94 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.58 38.5 9.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.0 p90 -164.27 144.92 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.16 175.78 6.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 pt -143.7 153.12 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG21 ' CE2' ' A' ' 105' ' ' PHE . 3.4 m -139.11 177.2 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.11 -165.41 17.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.06 21.17 8.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 38' ' ' GLY . 5.9 mt-10 -113.66 122.28 46.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 40.94 32.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.4 49.0 58.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -21.01 60.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.49 146.45 8.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.595 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 5.5 mm -86.79 154.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 60.5 m-85 -156.36 142.01 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 68.3 t -64.07 136.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.495 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.0 -32.88 11.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 48.8 t80 -162.84 161.8 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -132.63 117.83 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.2 tp -54.27 152.87 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.19 110.27 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.98 -10.88 40.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.97 -177.87 12.84 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.98 -29.57 8.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.94 -56.28 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 25.6 mt -50.75 -56.25 12.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 92.1 p -40.76 -30.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 66.44 40.19 94.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' ILE . 17.3 mm-40 -130.09 -65.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -62.59 137.03 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.44 ' N ' HD21 ' A' ' 58' ' ' LEU . 16.0 mtt85 -140.2 150.56 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.52 123.95 20.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.07 -18.16 14.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.79 162.76 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 51.1 ttt180 -116.32 104.5 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 4.7 mm -60.3 130.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.7 mt -108.51 -53.32 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.4 p -145.12 159.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.4 t -126.71 108.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.2 t-20 79.47 -56.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.32 38.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 66' ' ' SER . 99.4 t -121.35 129.69 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.74 99.55 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.52 14.58 30.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -43.47 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.88 57.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.33 153.09 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -71.34 172.92 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -58.64 -54.42 47.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.5 tt0 -51.85 -56.48 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -48.01 -50.0 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.84 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.97 -44.71 9.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -27.87 53.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.1 -17.78 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD22 ' CG1' ' A' ' 67' ' ' VAL . 46.7 mt -96.2 -24.77 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -82.43 -22.78 35.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.97 -11.06 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 91' ' ' VAL . . . -65.84 -142.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.25 -132.68 1.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.4 -52.16 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.32 92.47 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 87' ' ' ALA . 21.2 t -100.43 127.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.413 ' CG2' ' HG2' ' A' ' 18' ' ' LYS . 87.4 m -94.87 101.77 13.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -95.57 105.74 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 96.8 t -91.8 101.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.18 161.47 26.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 5.3 pt20 -128.05 119.08 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.13 95.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 84.31 58.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.42 13.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.59 -35.66 72.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' SER . 3.5 mm-40 -81.46 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 106' ' ' GLU . 77.7 t80 -43.07 -25.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' GLU . 28.0 t -38.78 -50.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.53 -54.26 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 33' ' ' VAL . 28.3 m-85 -63.5 -35.11 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 2.6 mm-40 -55.1 -50.44 69.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -57.84 10.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t 63.48 137.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.82 -151.68 26.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.14 15.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.422 1.749 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.2 p -179.04 79.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 m -84.55 93.3 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -179.55 98.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -144.14 155.66 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.78 144.45 5.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.5 -60.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.49 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.88 133.8 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -149.84 116.17 3.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.764 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.01 13.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.72 142.66 8.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.4 -144.97 6.08 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.0 33.57 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 69.75 76.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.92 -46.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 -69.31 173.17 4.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 144.53 30.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.12 137.91 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.86 110.52 10.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.27 120.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mt -112.28 104.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD21 ' CD1' ' A' ' 58' ' ' LEU . 1.2 mm? -95.19 142.41 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 35.4 m80 -102.87 99.7 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.5 mtmt -40.08 112.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.18 -55.36 5.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.19 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -61.68 -43.5 98.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.58 -140.33 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 12.7 mt -93.9 -8.95 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . 85.95 26.07 35.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -166.09 145.95 6.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.772 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.45 174.96 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.32 159.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -146.9 172.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.6 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.11 39.25 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' GLY . 1.4 mm-40 -131.26 123.72 29.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 45.94 27.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 54.2 57.92 14.95 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -85.83 -31.61 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.3 164.95 10.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ILE . 5.5 mm -108.43 142.19 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 47.1 m-85 -140.79 167.62 21.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 41.9 t -85.66 137.46 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.546 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.68 -31.42 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 54.4 t80 -167.15 168.09 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.84 116.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 48' ' ' ALA . 3.3 tm? -58.84 144.31 44.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' HD13 ' A' ' 47' ' ' LEU . . . -91.29 110.17 21.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.59 -13.22 27.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.93 -175.66 24.94 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.2 Cg_endo -75.0 -33.41 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -67.31 -30.16 69.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -91.21 -56.6 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 20.4 mt -49.01 -57.61 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 67.0 m -43.89 -30.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.37 14.07 71.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.0 -75.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.55 146.5 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 4.0 mtt85 -141.12 164.0 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 46' ' ' ILE . 5.3 ttt180 -80.74 102.65 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.22 -25.55 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.63 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 60.5 ttt180 -121.05 102.76 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.446 HD13 ' CG2' ' A' ' 93' ' ' ILE . 48.7 mm -57.29 130.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 27.5 mt -111.43 -49.15 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 9.7 p -145.49 157.62 43.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.71 126.18 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 52.74 28.75 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.29 37.84 23.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 66' ' ' SER . 93.1 t -116.13 128.02 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.45 117.98 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.4 15.86 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -45.29 -42.01 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -131.34 52.84 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.06 156.3 18.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -75.69 165.98 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -51.21 -54.95 20.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.582 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.1 tt0 -52.81 -55.83 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -50.71 -36.56 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.4 -23.16 61.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.41 -47.33 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.17 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.29 -19.45 42.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 91' ' ' VAL . 54.0 mt -97.13 -27.57 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -18.56 57.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -19.81 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.422 ' CB ' HG11 ' A' ' 91' ' ' VAL . . . -65.79 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.38 -141.65 3.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -51.59 63.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.01 100.27 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 84' ' ' LEU . 17.6 t -110.2 126.36 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.4 m -94.24 100.82 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 28' ' ' LEU . 5.2 mp -101.0 111.44 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.04 100.72 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.25 157.97 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -122.26 130.66 53.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -58.42 96.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.86 83.84 33.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.82 -48.29 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.8 mm-40 -67.76 -59.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 63.2 t80 -42.51 -34.99 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -49.65 -28.25 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -63.71 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -86.82 -43.3 12.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -41.5 -43.85 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -60.95 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t 67.66 151.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.68 -179.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.18 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -169.12 82.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.31 132.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -174.74 159.65 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -178.45 172.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 146.23 8.02 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -172.82 175.8 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 168.45 9.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.0 104.89 0.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -74.24 147.36 85.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.06 137.36 3.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.01 170.84 40.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.44 29.05 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.736 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.2 50.97 4.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -114.01 -42.07 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 -66.73 173.8 2.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.471 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.01 167.0 28.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -153.85 131.64 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 110.02 7.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' CG2' HD23 ' A' ' 21' ' ' LEU . 3.4 mt -110.18 139.98 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.8 mt -124.35 105.07 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD23 ' CG2' ' A' ' 19' ' ' ILE . 2.4 mm? -96.86 147.15 24.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' LYS . 16.3 m-70 -112.65 105.07 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' HIS . 4.3 mttm -39.98 111.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.73 -48.94 25.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.81 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -92.19 -42.88 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.01 -146.53 8.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -83.77 -8.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.26 46.41 15.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.6 p90 -169.86 148.56 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.03 171.33 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.32 155.3 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -140.38 177.23 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.22 -174.46 23.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.44 47.29 0.87 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 16.5 mt-10 -140.41 120.88 14.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t0 46.47 37.97 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.58 56.44 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 1.3 pt-20 -85.02 -29.74 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.18 -172.48 17.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 6.0 mm -128.36 144.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' CE1' ' NH2' ' A' ' 104' ' ' ARG . 30.0 m-85 -146.38 144.5 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.562 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.5 t -62.09 140.55 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.573 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -103.33 -18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 79.1 t80 178.77 165.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -131.68 122.01 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.44 HD12 ' CA ' ' A' ' 50' ' ' GLY . 2.8 tm? -57.93 139.0 55.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' C ' HD13 ' A' ' 47' ' ' LEU . . . -82.38 112.55 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.77 53.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.458 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.55 -175.18 9.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 58' ' ' LEU . . . -67.74 -18.37 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -57.1 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 12.5 mt -48.02 -45.52 32.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -56.05 -42.63 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.23 -20.48 29.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.64 -65.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 1.1 tp -64.59 124.37 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.98 150.25 44.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 14.8 ttp-105 -54.0 125.31 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 118.64 -33.48 4.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.53 153.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 57.3 ttt180 -112.65 102.29 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.439 HD13 ' CG2' ' A' ' 93' ' ' ILE . 50.6 mm -56.93 128.3 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 35.0 mt -110.16 -41.1 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 36.1 p -156.57 151.54 26.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.18 130.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 52.28 19.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 86.45 45.07 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -119.2 147.43 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -89.69 109.99 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 73' ' ' ARG . 9.5 mt -123.05 4.43 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.4 mtp180 -37.8 -42.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -133.04 49.41 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.79 155.64 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 p -78.41 156.06 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -40.36 -56.21 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.2 tt0 -51.12 -58.42 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -46.47 -45.99 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.82 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -77.69 -46.4 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 -27.42 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.63 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.7 mm? -84.92 -21.09 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -90.04 -9.45 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 91' ' ' VAL . . . -69.05 -141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.05 -136.33 2.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -74.42 -51.22 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.42 96.87 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 87' ' ' ALA . 16.5 t -106.17 130.43 57.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.0 m -97.3 100.72 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' ILE . 5.0 mp -99.69 115.26 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.5 t -102.59 101.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -129.56 166.08 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.84 127.08 45.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.53 97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -134.34 82.8 45.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -26.99 10.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.28 -57.38 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.491 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.3 mm-40 -57.99 -58.92 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 85.6 t80 -54.7 -20.55 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 100' ' ' GLU . 5.6 t -48.73 -32.14 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.598 ' NH2' ' CE1' ' A' ' 42' ' ' PHE . 5.3 ptt85 -62.54 -34.45 76.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.44 ' CE2' HG22 ' A' ' 33' ' ' VAL . 12.8 m-85 -79.98 -28.59 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.11 -64.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.55 -59.68 3.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 m -87.57 90.25 8.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.06 149.78 21.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.34 4.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.6 p 178.14 165.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.964 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 m -121.51 135.66 55.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p -170.73 170.61 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -144.6 169.78 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.0 -170.01 28.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -40.63 160.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.93 162.04 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 132.83 2.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -78.64 154.45 78.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.07 3.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.54 -67.51 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.54 95.26 1.79 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.46 85.51 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.24 59.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.1 -44.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.6 mt-10 -67.36 173.62 2.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 150.03 37.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -135.3 137.0 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.262 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -73.67 110.25 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.33 110.81 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.3 mt -102.04 106.13 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' CD1' ' A' ' 58' ' ' LEU . 1.4 mm? -95.58 142.63 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 6.8 m170 -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' HD12 ' A' ' 28' ' ' LEU . 6.9 mttm -39.73 118.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.6 -40.49 6.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.66 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -68.36 -54.39 17.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.44 -134.85 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.582 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -90.13 -9.53 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.24 36.34 18.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.7 p90 -162.4 146.44 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.452 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.33 170.37 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -135.27 151.69 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -139.84 174.55 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 -168.14 15.0 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 34.34 3.28 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -127.97 121.35 29.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 44.72 38.55 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.29 60.8 3.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.1 pt-20 -88.98 -30.32 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 133.58 172.55 12.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -115.89 138.0 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 89.9 m-85 -133.86 162.3 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 37.4 t -81.93 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.535 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -88.04 -32.34 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.3 t80 -168.61 165.84 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.521 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -129.96 116.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 2.0 tp -54.93 151.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -97.16 108.95 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.07 -11.89 29.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.24 -174.61 19.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.96 -33.62 4.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.97 65.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -57.7 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 18.9 mt -49.2 -56.38 9.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 58.6 m -40.45 -50.13 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.5 -12.44 68.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.51 -74.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.484 ' CD1' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -50.63 145.15 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -145.28 151.73 38.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -68.6 115.48 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.71 -26.19 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.19 173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 0.743 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.6 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -127.73 103.91 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.5 mm -59.29 129.58 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 27.0 mt -109.43 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.6 p -144.97 153.2 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.462 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.5 t -128.28 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . 15.3 t-20 39.63 29.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.88 56.96 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.6 p -133.19 147.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -89.77 110.72 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 73' ' ' ARG . 12.9 mt -123.5 3.14 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' LEU . 21.7 mtp180 -38.5 -41.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -129.57 52.12 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.36 163.67 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -87.6 162.55 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -49.4 -42.83 43.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.8 -51.87 62.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -51.03 -48.91 61.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.38 66.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.36 -43.06 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.64 71.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.41 -15.08 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.459 ' CD2' HD22 ' A' ' 28' ' ' LEU . 48.1 mt -95.03 -29.56 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -16.39 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -91.26 -19.08 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . . . -66.05 -142.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.04 -128.3 0.99 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -84.24 -39.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -108.49 97.97 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 12.7 t -109.11 139.77 30.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.2 m -103.7 100.58 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.82 114.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 66.1 t -103.56 100.53 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.53 156.29 39.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -117.92 131.33 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.78 93.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.92 83.43 56.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.01 13.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.558 1.82 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.6 -51.56 69.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.9 mm-40 -65.35 -60.54 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 64.9 t80 -42.73 -32.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -51.99 -28.04 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.06 -29.1 70.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 43.5 m-85 -85.86 -40.39 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.53 -48.88 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -58.0 10.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -107.15 107.18 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -115.02 177.81 17.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 78.76 2.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.79 84.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -65.18 163.21 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 157.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -164.85 159.95 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.45 -126.98 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.91 171.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.06 165.79 32.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.9 124.92 1.86 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -82.24 139.98 45.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.65 171.05 40.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.153 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.02 8.87 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' ARG . 6.1 m-20 -113.89 22.71 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.18 85.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -134.43 -44.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.8 mt-10 -62.46 173.32 1.0 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 154.18 42.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -143.88 179.04 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.01 128.67 53.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' CG1' ' HD3' ' A' ' 17' ' ' ARG . 7.1 mt -130.01 112.14 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.24 108.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.488 ' CD1' ' CD2' ' A' ' 58' ' ' LEU . 34.0 mt -106.98 128.88 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' LYS . 31.9 m-70 -89.6 107.17 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.1 mtmt -38.27 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 -54.61 1.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.5 OUTLIER -165.16 157.08 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 25' ' ' SER . 69.1 p 47.51 23.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' SER . . . 105.24 -144.44 15.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.0 mm? -77.62 -7.53 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.415 ' CA ' ' HB3' ' A' ' 47' ' ' LEU . . . 84.26 43.14 7.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.4 p90 -170.23 148.24 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.99 169.16 9.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.29 160.79 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.2 m -145.85 177.02 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.9 -177.84 26.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.29 41.25 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -134.28 123.41 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 44.5 30.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.32 58.34 12.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.4 pt-20 -85.41 -31.96 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 130.95 164.41 11.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.592 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.9 mm -108.64 147.78 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 25.6 m-85 -149.92 163.49 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 t -86.94 136.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.78 -13.03 19.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.5 t80 177.93 166.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.5 mm -132.39 121.1 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 47' ' ' LEU . 3.1 tm? -54.01 139.48 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.05 118.87 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.28 -12.82 67.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.58 -179.08 13.55 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.01 -30.97 6.58 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 58' ' ' LEU . . . -69.85 -21.67 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.33 -56.24 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.0 mt -48.51 -55.83 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.3 m -40.01 -41.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.21 9.12 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.21 -55.46 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.529 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -74.17 123.72 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.38 147.62 49.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 9.5 ttm180 -54.01 122.48 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.507 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 112.76 0.19 25.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.44 116.71 18.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 35.2 ttt180 -74.02 109.57 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.434 HD13 ' CG2' ' A' ' 93' ' ' ILE . 7.3 mm -68.31 134.98 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 38.7 mt -112.5 -52.99 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.5 p -145.58 152.05 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.4 t -127.81 140.13 49.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 40.1 28.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.93 56.3 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.6 p -132.0 147.23 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.14 110.43 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' ARG . 12.2 mt -122.39 3.84 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -38.08 -40.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -132.72 52.45 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -112.06 153.05 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 p -78.66 160.73 27.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -42.21 -57.52 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -50.91 -58.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -46.34 -45.55 17.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.92 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.12 67.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -24.14 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.59 60.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 91' ' ' VAL . 1.8 mm? -96.65 -28.09 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -16.61 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -94.36 -18.44 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.18 -144.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.61 -147.91 5.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -55.52 -51.59 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.33 104.87 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 84' ' ' LEU . 10.7 t -113.24 136.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -105.33 101.19 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.434 ' CG2' HD13 ' A' ' 64' ' ' ILE . 5.2 mp -101.71 108.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.4 t -94.44 101.39 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.3 162.8 23.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.26 114.6 21.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.32 95.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -135.78 87.07 26.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.4 7.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' OG ' ' A' ' 103' ' ' SER . 3.2 mt-10 -53.89 -32.79 54.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.9 mm-40 -86.2 -51.83 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.507 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -51.12 -28.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 100' ' ' GLU . 60.8 p -55.34 -27.93 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -63.5 -25.31 68.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 14.3 m-85 -90.83 -46.91 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.47 -51.88 4.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -50.42 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -133.42 103.83 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.89 -150.08 10.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.3 p -140.85 103.49 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.91 159.34 15.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -118.01 96.56 5.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 100.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.95 132.76 3.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t 176.61 108.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -176.71 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -103.54 -114.78 3.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 28.9 mmt-85 -38.61 151.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.73 36.69 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.96 -72.53 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.03 130.66 10.31 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -116.41 37.82 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 67.74 64.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.2 -46.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.0 mt-10 -75.97 173.06 7.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.0 135.05 18.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -118.4 134.57 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 4.4 ttpt -74.31 107.63 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.71 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.0 mt -101.07 114.03 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD21 ' CD1' ' A' ' 58' ' ' LEU . 1.2 mm? -105.59 144.24 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -100.05 102.14 13.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' CG ' HD13 ' A' ' 28' ' ' LEU . 9.7 mtmt -46.44 113.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.52 -48.99 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 -62.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -63.27 -54.91 29.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -139.14 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.4 mm? -91.56 -10.12 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.01 10.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.2 p90 -162.35 144.61 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.03 176.29 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.91 151.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.481 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.0 m -134.1 177.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -159.42 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.81 33.86 6.21 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' ' N ' ' A' ' 38' ' ' GLY . 2.9 mt-10 -126.66 119.42 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 43.82 28.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.9 60.31 8.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.46 -31.68 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.28 142.62 5.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.8 mm -85.86 154.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 67.7 m-85 -155.78 152.28 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.604 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 61.4 t -70.78 136.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.481 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -101.57 -35.61 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 36.2 t80 -161.36 164.35 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.26 122.03 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.5 tp -58.93 152.81 18.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.54 110.95 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.36 -14.14 36.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.04 -178.15 13.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.94 -33.17 4.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.64 -25.18 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.58 -57.32 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.9 mt -48.55 -55.72 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -40.38 -44.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 -2.06 86.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.13 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' CD1' HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -72.65 142.97 48.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' N ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -169.19 166.23 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -58.59 116.01 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.36 33.11 1.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.51 151.12 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.568 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 46.7 ttt-85 -114.17 99.8 7.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.67 129.27 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 17.9 mt -110.34 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 4.3 p -142.86 156.12 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 t -127.48 115.86 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 63.48 31.9 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.97 43.4 27.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 66' ' ' SER . 98.0 t -123.83 125.46 71.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -67.57 113.25 5.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.0 mt -130.88 14.3 5.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -44.66 -69.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.45 39.83 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.03 147.86 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.4 p -65.71 174.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -61.92 -60.74 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -45.22 -25.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.12 -40.37 19.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -74.17 -48.12 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.55 -28.12 29.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.85 -15.79 63.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 91' ' ' VAL . 2.0 mm? -97.02 -18.07 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -24.85 23.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.34 -7.99 46.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -73.45 -141.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.7 -140.18 2.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -51.51 20.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.99 96.82 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 HG21 ' CB ' ' A' ' 87' ' ' ALA . 17.3 t -108.81 124.29 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.403 ' CG2' ' CG ' ' A' ' 18' ' ' LYS . 29.3 m -91.69 100.94 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 91' ' ' VAL . 5.1 mp -98.89 104.88 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.58 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -124.89 141.65 51.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' NE2' HD12 ' A' ' 65' ' ' LEU . 3.5 pt20 -106.75 123.9 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -57.14 100.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -119.88 89.42 42.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.69 19.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.2 -33.04 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.4 mm-40 -85.71 -68.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 22.1 t80 -36.75 -33.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . 71.8 p -46.29 -43.62 15.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 31.5 mtt-85 -49.73 -37.45 29.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD2' HG21 ' A' ' 33' ' ' VAL . 26.4 m-85 -83.41 -47.05 11.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.66 -47.51 20.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.0 t -40.95 -53.89 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.31 147.7 4.79 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.83 101.37 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.1 m 61.89 94.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 145.84 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.731 . . . . 0.0 110.05 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 79.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.6 176.74 35.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -159.33 157.62 30.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 0.787 . . . . 0.0 110.0 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -161.5 169.85 21.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.14 131.56 6.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -144.72 147.66 36.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.14 16.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.9 -167.12 15.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.81 87.21 0.26 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.57 85.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.55 78.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -114.33 -54.59 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.9 mt-10 -57.79 173.49 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.429 1.752 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -100.81 145.71 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -79.34 111.7 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 93' ' ' ILE . 3.1 mt -114.31 131.4 66.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.6 103.16 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 93' ' ' ILE . 1.4 mm? -98.87 137.61 37.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -102.7 104.12 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' CG ' HD12 ' A' ' 28' ' ' LEU . 9.5 mtmt -42.35 112.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.61 -57.41 1.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -55.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.3 p -89.17 57.01 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.24 -136.48 32.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.9 mm? -91.94 -9.14 44.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.98 44.85 7.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.2 p90 -169.53 143.36 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -95.0 174.67 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -143.79 152.87 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -141.77 172.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.25 -154.61 19.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 86.79 2.5 84.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 1.6 mm-40 -86.25 101.14 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 4.5 m-20 82.67 -49.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.9 43.26 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.24 -18.78 41.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.76 171.48 13.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.3 mm -114.66 149.21 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 43.4 m-85 -150.34 149.0 29.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 19.8 t -67.77 138.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.528 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -99.82 -17.43 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 45.3 t80 178.23 162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 1.1 mt -132.86 115.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 5.3 tp -48.76 153.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.53 111.77 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.9 54.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -65.72 178.73 11.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 -32.66 5.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.86 -15.2 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.54 -50.77 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.7 mt -54.98 -50.33 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.3 m -40.36 -49.35 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.29 -7.87 69.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mt-10 -89.83 -59.6 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 30' ' ' PHE . 4.2 tp -67.19 129.05 38.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' NE ' ' CE1' ' A' ' 97' ' ' TYR . 1.2 ppt_? -137.2 159.04 43.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' O ' ' CZ ' ' A' ' 59' ' ' ARG . 11.5 ttt180 -70.51 102.6 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 59' ' ' ARG . . . 135.04 -10.39 4.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.09 148.47 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.551 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 45.5 ttt180 -97.97 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 93' ' ' ILE . 4.7 mm -68.58 98.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' CD2' ' O ' ' A' ' 63' ' ' ARG . 4.0 mm? -72.3 -55.93 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -145.44 157.73 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.0 t -127.79 137.78 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 39.78 28.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 78.18 56.83 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -133.18 143.01 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -88.63 109.96 20.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 73' ' ' ARG . 15.7 mt -121.16 -3.3 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LEU . 8.1 mtp180 -36.99 -35.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.28 49.46 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.43 146.68 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.442 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 61.1 p -64.57 178.62 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' N ' ' HA3' ' A' ' 35' ' ' GLY . 13.3 t-160 -64.61 -54.2 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.51 -40.95 79.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -63.66 -34.72 78.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.71 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.72 -42.97 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.33 -19.48 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.62 -17.29 56.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -96.2 -14.31 22.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -23.61 23.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -90.56 -14.59 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 91' ' ' VAL . . . -63.51 -140.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -177.0 -148.43 7.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.76 -51.45 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.89 100.94 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 87' ' ' ALA . 4.1 t -111.1 140.91 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 18' ' ' LYS . 99.3 m -107.05 101.16 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.454 HG22 ' CD1' ' A' ' 64' ' ' ILE . 3.6 mp -98.22 113.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.57 100.98 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.5 155.48 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -119.26 128.13 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE1' ' NE ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -59.96 94.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 88.41 52.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.65 18.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.12 -44.86 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.13 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 9.0 t80 -37.29 -36.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' TYR . 2.2 t -38.81 -41.85 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -52.27 -52.03 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.52 ' CZ ' HG23 ' A' ' 33' ' ' VAL . 56.5 m-85 -72.03 -47.28 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.35 -50.1 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -59.18 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -79.22 86.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -101.16 -163.21 27.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -42.5 -52.34 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.84 -76.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -170.02 107.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.8 153.59 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.42 129.44 1.96 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.92 117.4 9.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 p -89.44 150.69 22.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.1 -122.31 0.61 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.98 155.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.75 33.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.06 -152.91 24.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.33 -86.16 1.91 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -170.46 33.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' ARG . . . -177.78 -111.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 1.6 mpt_? 74.07 -49.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -69.49 174.79 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 156.67 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.33 -179.41 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.5 122.68 47.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.9 mt -126.0 107.92 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.86 106.39 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 19' ' ' ILE . 1.7 mm? -100.94 136.18 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -95.15 107.43 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.573 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -51.56 110.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.75 -66.08 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 -45.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -121.91 63.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.08 164.76 24.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' CE2' ' A' ' 30' ' ' PHE . 29.3 mt -63.21 -71.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 150.91 49.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' HD11 ' A' ' 28' ' ' LEU . 10.4 p90 -172.55 152.51 2.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 2.9 t-20 -95.03 171.73 8.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 1.6 pt -140.79 153.98 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' CD2' ' A' ' 105' ' ' PHE . 3.8 m -140.06 174.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.05 -166.91 13.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.17 37.17 4.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.77 116.13 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 43.76 38.8 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 63.68 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -93.14 -29.56 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 131.01 -172.23 20.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' ILE . 6.6 mm -131.32 135.76 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 66.6 m-85 -138.66 156.58 47.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 40.1 t -76.49 136.66 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.476 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -101.01 -15.63 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 16.5 t80 -179.96 160.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.528 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -128.47 124.2 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 10.0 tp -53.04 156.17 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.29 123.4 36.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.73 -0.74 60.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -71.46 -174.02 18.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.96 -36.27 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.64 -23.27 63.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -56.55 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' SER . 15.2 mt -47.31 -56.85 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.1 p -38.69 -44.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.96 -16.76 45.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.06 -54.54 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -70.33 123.4 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -137.85 150.62 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 31.1 ttp180 -66.64 104.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.413 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 143.77 -21.84 2.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.17 173.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -124.35 105.63 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 41' ' ' ILE . 16.0 mm -62.2 122.82 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 25.6 mt -99.76 -54.41 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 5.1 p -138.15 160.17 40.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.8 t -123.21 106.67 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 t-20 75.0 -55.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.16 35.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 9.5 p -116.48 143.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.05 103.05 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -113.0 14.49 19.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -43.99 -38.49 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -138.96 50.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.53 166.59 10.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.2 p -73.38 173.77 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 32' ' ' ILE . 11.4 t-160 -66.62 -51.34 57.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.17 -37.82 81.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.9 -50.48 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.13 -24.12 64.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.2 -40.27 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.08 63.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.92 -19.82 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 40.3 mt -93.64 -21.58 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -21.78 31.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -12.38 28.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -143.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.82 -144.77 4.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.89 -51.37 40.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.44 93.34 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.4 HG11 ' CD1' ' A' ' 93' ' ' ILE . 19.3 t -103.19 122.43 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.2 m -91.96 101.12 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.442 ' CD1' HD12 ' A' ' 28' ' ' LEU . 2.0 mp -98.96 119.72 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 75.7 t -101.36 100.99 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -120.64 165.95 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -129.49 117.67 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 97.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.03 83.58 45.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.04 18.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.6 -28.78 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.6 mm-40 -87.87 -67.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 76.8 t80 -40.03 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . 13.1 t -38.63 -44.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -52.05 -52.94 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CD2' HG21 ' A' ' 33' ' ' VAL . 25.6 m-85 -66.41 -16.64 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.453 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.1 mm-40 -76.22 -53.58 8.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -52.76 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 138.78 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.14 -165.6 38.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.9 t -121.81 97.34 5.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.7 m 67.85 156.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.81 168.42 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -162.36 127.48 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.66 175.64 16.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.67 163.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p 179.72 156.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.78 166.4 10.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -131.23 134.38 25.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.93 4.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.04 -114.09 0.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.417 ' HA3' ' NE ' ' A' ' 14' ' ' ARG . . . -51.07 -176.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -145.28 39.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -177.14 67.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' NE ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -136.89 -45.91 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.2 mt-10 -68.2 172.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 140.34 25.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.8 ptm180 -122.74 136.24 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 112.53 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.466 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.2 mt -114.67 112.5 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.23 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -94.6 136.96 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -103.3 99.41 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -42.15 112.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.15 -42.89 6.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.31 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.5 p -45.83 -31.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 -140.72 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 19.3 mt -93.95 -8.96 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 28.25 26.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 28' ' ' LEU . 2.4 p90 -167.23 144.42 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.33 176.3 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.35 155.3 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.603 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.1 m -143.01 169.72 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.55 177.39 38.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 114.62 35.0 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.03 109.92 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.57 18.41 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.96 66.77 2.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -101.0 -22.83 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.62 171.53 13.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.3 mm -118.63 148.2 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.613 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 33.4 m-85 -152.15 141.72 21.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -59.89 141.93 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.603 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.2 -32.53 10.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 35.6 t80 -164.15 166.78 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.531 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -134.33 124.58 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.0 tp -66.9 152.22 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.93 111.18 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.19 -12.93 40.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.87 -177.62 15.22 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.418 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 -28.47 9.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.37 -40.59 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -58.25 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.7 mt -47.01 -53.32 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 14.3 p -39.65 -40.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.04 -6.73 61.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -88.87 -55.23 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -67.46 145.72 54.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -149.43 156.63 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' N ' HG13 ' A' ' 46' ' ' ILE . 2.9 ttm180 -69.62 112.67 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.486 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 126.59 -23.4 5.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.24 153.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 43.5 ttt180 -108.92 105.22 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 7.2 mm -59.82 132.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 34.0 mt -111.74 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 31.3 p -147.28 153.95 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.3 t -128.04 131.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 49.1 21.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 84.27 51.45 3.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.6 p -127.25 146.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -88.76 109.79 20.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' ARG . 25.3 mt -119.02 -0.88 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' LEU . 3.2 mtp-105 -37.36 -40.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.52 51.43 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -114.98 152.81 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.441 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 14.1 p -76.53 166.6 23.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -52.76 -40.45 63.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ALA . 18.5 tt0 -65.46 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -47.4 -44.13 24.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.09 73.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -81.01 -30.96 34.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -66.46 -25.1 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -75.08 -16.64 60.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 28' ' ' LEU . 1.6 mm? -97.01 -29.22 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -78.15 -26.32 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -11.89 43.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' HB3' ' CG2' ' A' ' 91' ' ' VAL . . . -70.54 -143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.04 -126.05 0.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.54 -50.95 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.27 94.24 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 87' ' ' ALA . 12.6 t -107.63 139.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.1 m -101.71 100.64 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.438 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.45 HD11 ' CG1' ' A' ' 91' ' ' VAL . 3.8 mp -97.79 111.01 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.29 100.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -123.98 158.19 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.8 pt20 -126.48 123.38 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.48 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.1 83.75 50.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -41.42 -53.28 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 3.1 mt-10 -67.59 -62.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.5 t80 -41.4 -35.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t -48.62 -29.71 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -62.16 -29.95 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -85.85 -40.87 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 -60.21 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -60.7 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -128.01 117.66 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.32 -173.08 40.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.73 93.67 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 166.6 18.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -176.49 149.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.8 169.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.34 161.42 35.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 144.02 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.46 170.1 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 -61.33 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 61.94 157.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.345 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.5 20.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.22 124.48 7.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.76 178.31 16.7 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -93.59 24.39 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.47 90.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -125.86 -59.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.4 mt-10 -51.58 173.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptp85 -95.06 174.83 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 131.25 53.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 17' ' ' ARG . 4.3 mt -132.55 136.87 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 mt -120.26 95.48 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 93' ' ' ILE . 1.7 mm? -88.6 136.9 32.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -102.26 102.77 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.556 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -40.75 111.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.6 -60.09 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.31 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -75.12 -47.26 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 -133.4 2.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.5 mm? -93.97 -8.45 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.4 9.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.5 p90 -174.14 151.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.2 168.98 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.48 157.29 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.1 m -139.79 177.6 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.6 -156.34 17.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.91 35.88 6.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.38 117.32 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 42.09 38.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.17 54.62 14.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 1.1 pp20? -80.92 -26.9 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 124.1 153.04 8.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.446 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.8 mm -100.38 142.46 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 38.4 m-85 -144.06 158.73 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.439 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 28.2 t -78.41 132.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.537 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -95.91 -26.81 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 50.6 t80 -167.41 161.7 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.1 mm -132.49 118.17 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.43 149.47 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.26 113.94 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.58 -8.67 62.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.31 -177.67 13.54 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.85 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -96.38 -56.42 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.4 mt -49.52 -55.27 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.5 m -40.44 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.88 2.56 71.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mm-40 -95.09 -57.15 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.501 HD21 ' CD2' ' A' ' 30' ' ' PHE . 2.6 tp -69.08 129.36 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -143.53 141.51 30.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 13.6 ttp-105 -51.24 119.27 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.4 -18.65 8.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.22 128.89 38.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 15.6 ttt180 -82.3 116.14 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.0 103.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 16' ' ' PRO . 4.6 mm? -71.84 -55.53 7.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.412 ' OG ' ' HA ' ' A' ' 71' ' ' ASN . 44.4 m -148.13 163.96 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 70' ' ' VAL . 2.2 t -127.51 138.77 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 40.23 33.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 74.67 47.96 14.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' VAL . 79.7 t -129.39 110.72 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.412 ' HA ' ' OG ' ' A' ' 66' ' ' SER . 3.4 t-20 -53.65 103.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 14.8 mt -101.45 2.51 39.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -37.72 -70.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -100.17 41.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -100.14 142.5 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 p -76.59 162.88 27.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.61 -48.95 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.21 -40.87 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . . . -66.18 -30.36 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.85 -45.55 18.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.77 -27.47 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.31 -19.29 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.74 -32.32 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -70.86 -18.1 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.67 -21.98 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -61.79 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -179.01 -146.78 6.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.79 -51.55 68.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.69 109.55 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 87' ' ' ALA . 4.8 t -121.24 131.05 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 m -97.85 101.24 12.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.456 ' CD1' HD21 ' A' ' 21' ' ' LEU . 2.0 mp -97.14 115.04 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.9 t -102.77 101.69 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -129.41 152.73 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.2 pt20 -111.8 127.04 55.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -125.29 82.4 62.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.07 17.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.38 -36.56 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.3 mm-40 -76.65 -68.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' SER . 32.3 t80 -38.73 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 28.2 t -38.74 -42.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -53.36 -53.19 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -67.95 -37.62 81.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -41.31 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -55.38 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.07 102.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -114.6 -165.59 15.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.21 5.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.3 m -88.39 105.03 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.1 m -100.7 -58.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.11 163.32 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 64.38 168.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.96 79.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.74 123.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.98 135.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.54 88.98 0.5 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -130.18 147.46 65.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.59 16.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.36 133.19 1.57 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.18 144.91 12.11 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.67 25.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 54.19 68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -125.27 -44.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 -77.22 173.87 6.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.463 ' HB2' ' CG1' ' A' ' 94' ' ' VAL . 18.4 Cg_endo -74.99 115.26 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.47 ' CG ' HD12 ' A' ' 19' ' ' ILE . 1.9 ptm180 -91.7 140.93 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -73.59 109.44 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' A' ' 57' ' ' GLU . 7.5 mt -113.05 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -87.33 107.73 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD1' HD11 ' A' ' 58' ' ' LEU . 87.0 mt -105.08 141.07 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 30.4 m80 -100.95 102.39 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.653 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.4 mtmt -39.86 111.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.36 -44.69 21.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.06 -60.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.3 p -67.28 -51.75 48.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.1 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.4 mm? -90.33 -9.77 46.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.44 34.36 12.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' A' ' 28' ' ' LEU . 2.2 p90 -161.01 147.34 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.89 173.62 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.422 HG13 ' NE2' ' A' ' 77' ' ' HIS . 7.9 pt -143.19 150.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.3 m -136.5 176.8 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 -153.99 16.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 32.2 11.09 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 3.5 mt-10 -124.49 121.29 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 40.88 32.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 56.53 47.22 85.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -74.16 -24.38 59.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 119.86 166.41 13.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.5 mm -106.23 145.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 m-85 -147.33 155.26 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 50.6 t -74.27 134.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.54 -29.36 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.7 t80 -169.76 162.88 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -127.17 119.02 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.4 tp -57.31 151.95 15.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.47 111.4 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 109.73 -16.28 31.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.87 -176.16 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.96 -31.67 6.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -72.1 -9.56 58.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -110.91 -54.35 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 84.6 mt -58.33 -53.13 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 20.8 t -46.49 -25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 84.03 -8.25 67.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.484 ' HB3' HG12 ' A' ' 19' ' ' ILE . 3.1 mm-40 -97.88 178.11 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 58.27 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -176.18 158.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 ttt-85 -58.86 119.07 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.28 31.53 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 47.2 ttt-85 -66.68 119.76 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.7 mm -75.8 98.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 95' ' ' ALA . 4.0 mm? -70.39 -55.49 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -145.15 161.33 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 ' HB ' ' CD1' ' A' ' 72' ' ' LEU . 2.5 t -127.47 108.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 64.43 37.36 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 38.84 50.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.8 116.38 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.5 115.11 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' ' HB ' ' A' ' 67' ' ' VAL . 22.4 mt -128.56 15.23 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.4 mtp180 -39.24 -55.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -119.08 63.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.04 148.33 41.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -67.2 149.23 50.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' NE2' HG13 ' A' ' 32' ' ' ILE . 23.0 t-160 -42.91 -42.28 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 81' ' ' ALA . 10.4 tt0 -63.02 -53.07 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -47.89 -49.77 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.16 63.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -84.68 -47.43 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -29.45 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.02 -15.31 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.2 mt -93.03 -34.61 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -24.03 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -13.16 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.446 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -66.5 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -175.29 -150.45 7.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.08 -51.72 62.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.17 95.33 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 87' ' ' ALA . 6.2 t -110.11 119.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.3 m -87.45 100.22 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.0 mp -94.54 106.79 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -98.81 101.39 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.407 ' HA ' HD21 ' A' ' 65' ' ' LEU . . . -126.77 154.45 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.45 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -124.62 128.03 48.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.45 156.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.56 88.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -48.42 -36.19 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.66 -69.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -41.62 -36.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 97.6 p -47.42 -32.09 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -59.27 -25.74 64.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -94.33 -50.04 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 107' ' ' SER . 0.0 OUTLIER -41.33 -33.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -73.69 -58.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.3 100.85 7.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.9 -173.71 28.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 78.92 2.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.813 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.76 95.82 3.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -111.14 94.68 5.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p -168.37 140.03 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.956 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.54 162.21 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.09 -148.23 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.14 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.53 152.47 2.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.42 131.18 10.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -137.09 158.71 72.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.92 3.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.65 93.24 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.22 86.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.86 85.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 0.734 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.44 67.58 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.98 -43.5 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.8 mt-10 -66.43 173.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.99 137.57 21.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -113.34 142.52 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -76.09 107.21 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.48 HG12 ' CB ' ' A' ' 57' ' ' GLU . 3.5 mt -104.44 89.04 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.74 103.43 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.8 mt -100.9 147.01 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' LYS . 57.3 m170 -114.45 95.85 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 5.4 mttm -39.33 119.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.49 -38.94 7.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m 172.0 -64.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 p -55.51 -32.83 63.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.18 -141.27 8.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 67.3 mt -94.3 -12.01 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 31.5 53.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -163.62 142.33 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.0 176.59 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 2.6 pt -139.94 163.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -148.48 177.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.91 -162.83 13.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.35 29.8 8.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -120.81 117.87 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 50.12 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.83 58.62 13.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -88.5 -24.48 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.34 171.11 13.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.28 143.97 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 101' ' ' GLU . 60.8 m-85 -144.21 156.46 44.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.538 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -74.45 133.72 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.555 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -94.23 -33.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 73.7 t80 -164.53 165.02 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.3 mm -135.5 120.27 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 48' ' ' ALA . 3.1 tm? -61.84 139.37 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' C ' HD13 ' A' ' 47' ' ' LEU . . . -85.5 108.45 17.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.02 -9.95 31.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.4 -172.68 15.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.01 -32.99 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 28' ' ' LEU . . . -69.64 -39.77 76.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 15.1 mt -45.76 -57.76 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 86.4 p -44.41 -43.69 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.81 -9.19 63.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.48 ' CB ' HG12 ' A' ' 19' ' ' ILE . 18.7 mm-40 -73.39 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -68.65 137.96 54.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -141.83 144.19 33.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 116.7 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.66 8.67 12.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 140.12 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' ' CE1' ' A' ' 42' ' ' PHE . 9.9 ttt180 -91.52 111.77 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.497 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 13.1 mm -67.5 104.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' CD2' ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -74.01 -56.19 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.3 p -143.73 158.88 43.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' GLY . 2.2 t -128.01 137.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' VAL . 21.2 t-20 39.43 29.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 78.04 57.27 3.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -134.61 144.87 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -87.75 110.31 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 74' ' ' ASN . 12.6 mt -122.65 -1.19 9.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 32.7 mtp85 -37.22 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' LEU . 21.1 m-80 -137.96 57.11 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.99 160.53 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.4 p -87.13 158.41 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.541 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t-160 -41.86 -50.94 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.87 -56.51 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -50.46 -48.95 56.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.36 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.57 32.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.8 -18.98 9.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HA ' ' CD ' ' A' ' 86' ' ' ARG . . . -80.31 -27.79 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 28' ' ' LEU . 2.0 mm? -87.23 -14.46 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -26.15 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.452 ' CD ' ' HA ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -89.96 -8.26 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.452 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -75.87 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.55 -138.65 2.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.4 -52.5 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.09 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 87' ' ' ALA . 10.6 t -108.12 133.29 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.556 ' CG2' ' CG ' ' A' ' 18' ' ' LYS . 99.9 m -100.16 99.99 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.497 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -97.17 108.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.2 t -96.5 101.56 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -126.46 150.4 48.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.6 pt20 -110.19 130.83 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.44 95.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -129.56 85.11 59.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.54 18.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.574 1.828 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.76 -44.69 96.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -68.76 -61.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 24.4 t80 -36.43 -35.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 t -39.24 -35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -59.06 -50.57 73.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' TYR . 39.7 m-85 -71.17 -35.02 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.82 -49.41 75.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.73 -59.34 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.74 97.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.32 -174.31 14.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -52.69 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.47 169.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.76 -58.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.79 133.57 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -135.07 115.94 14.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.99 126.8 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -69.04 154.82 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 m -69.45 -61.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.44 -130.45 1.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -136.42 147.51 60.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.87 31.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.71 165.09 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.17 -156.85 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.76 31.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.98 90.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 -61.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' C ' ' HG2' ' A' ' 96' ' ' GLN . 3.2 mt-10 -48.03 173.4 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' CA ' ' HG3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.99 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER -78.87 130.43 35.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.501 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 5.8 tttt -73.13 98.4 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 93' ' ' ILE . 3.5 mt -97.58 141.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.0 mt -124.98 92.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.49 137.79 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 89' ' ' GLN . 24.9 m-70 -103.69 96.42 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.608 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' CG ' HD22 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -41.35 110.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.14 -63.45 2.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.93 -50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -66.47 -47.36 73.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.22 -143.24 6.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 16.3 mt -93.85 -9.25 37.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.59 42.45 17.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.602 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.2 p90 -177.9 149.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.24 173.17 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 pt -131.86 159.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.6 m -143.31 177.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.02 -161.62 28.1 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.93 15.42 39.36 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.33 129.38 56.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 46.16 34.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.39 53.88 7.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.73 -33.08 23.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.63 -173.51 22.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.9 mm -132.82 140.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 34.0 m-85 -147.09 151.95 37.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.0 t -68.46 135.72 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.19 -30.02 14.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 55.9 t80 -166.11 165.2 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.61 117.2 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.4 tp -55.37 152.65 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.49 109.65 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.67 -8.05 46.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -177.87 14.14 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 -34.68 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 58' ' ' LEU . . . -70.83 -21.7 62.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -96.34 -53.07 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' SER . 26.7 mt -54.39 -54.56 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' LEU . 30.8 t -37.06 -39.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.48 9.74 81.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.91 -69.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.495 ' CD2' ' HB1' ' A' ' 52' ' ' ALA . 5.9 tp -57.88 132.35 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -143.93 145.72 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -51.91 102.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.03 44.86 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 0.5 OUTLIER -122.7 135.55 54.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -84.85 116.33 23.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 1.8 mm -75.84 119.36 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' CD2' ' OE1' ' A' ' 96' ' ' GLN . 4.3 mm? -92.2 -56.69 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 p -142.77 160.97 39.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 83' ' ' ALA . 2.3 t -123.93 114.33 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.33 30.63 19.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.02 39.52 16.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.89 117.7 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.56 120.39 9.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -139.0 14.7 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -40.17 -54.58 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -119.67 62.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.55 151.43 37.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.9 p -65.0 154.7 36.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -46.67 -45.17 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ALA . 8.1 tt0 -63.23 -52.08 63.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.54 -25.82 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -88.81 -45.93 9.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.15 -25.89 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -71.75 -22.12 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 28' ' ' LEU . 1.4 mm? -90.56 -14.14 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -22.67 20.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -9.61 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.478 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . . . -71.83 -143.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.51 -124.91 0.75 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.2 mt-30 -89.26 -53.17 4.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.77 94.75 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 15.1 t -109.31 132.03 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.501 ' CG2' ' HG2' ' A' ' 18' ' ' LYS . 6.6 m -95.14 100.77 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 19' ' ' ILE . 5.2 mp -95.86 111.46 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 16' ' ' PRO . 5.0 t -103.22 101.38 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . . . -134.36 151.56 51.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.489 ' OE1' ' CD2' ' A' ' 65' ' ' LEU . 17.1 mt-30 -90.29 155.79 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.45 75.3 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -119.42 90.06 41.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.46 20.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.53 -38.23 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.47 -55.21 5.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.7 t80 -42.74 -35.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 83.9 p -47.69 -31.34 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -59.09 -24.0 62.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 15.2 m-85 -94.22 -50.68 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 107' ' ' SER . 0.0 OUTLIER -43.27 -32.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -78.8 -59.42 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.58 102.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.71 -154.96 42.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 167.16 27.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 t -86.74 144.04 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -153.5 166.23 33.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -130.1 155.18 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -64.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.93 -72.03 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m 58.07 163.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.03 167.89 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.48 150.1 16.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -129.31 141.74 42.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.83 -139.49 4.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.34 160.59 10.99 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -96.76 24.51 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 71.76 83.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -56.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 -47.48 173.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' CD ' ' CB ' ' A' ' 15' ' ' GLU . 18.5 Cg_endo -74.98 115.83 4.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 97' ' ' TYR . 1.7 ptp85 -89.95 173.33 8.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -110.68 122.52 48.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 57' ' ' GLU . 3.1 mt -120.48 102.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mt -93.1 100.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.402 ' CD1' HD23 ' A' ' 58' ' ' LEU . 28.8 mt -99.09 131.91 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -95.76 105.78 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.627 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 87' ' ' ALA . 6.2 mtmt -42.27 110.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.56 -61.44 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -71.26 -51.44 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.73 -136.23 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.6 mm? -93.68 -10.2 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.54 45.49 9.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' HD21 ' A' ' 58' ' ' LEU . 2.0 p90 -169.21 147.65 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.38 174.63 5.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 pt -138.12 158.56 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 5.0 m -143.12 176.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.02 -161.14 15.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.14 29.95 7.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -123.54 125.98 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 42.02 31.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.16 56.24 10.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.3 -35.44 25.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.73 160.91 8.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.7 mm -100.65 146.06 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 42.6 m-85 -143.35 162.33 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.583 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 47.0 t -80.41 133.31 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.507 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.92 -23.04 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 74.2 t80 -177.78 167.44 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.48 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 2.2 mm -133.78 120.42 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD11 ' CA ' ' A' ' 50' ' ' GLY . 2.8 tm? -55.4 138.3 46.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' C ' HD12 ' A' ' 47' ' ' LEU . . . -78.28 118.33 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . 93.26 -11.1 72.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' HD11 ' A' ' 47' ' ' LEU . . . -63.98 -179.19 5.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -29.37 8.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.75 -32.5 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 30.6 t0 -84.07 -58.33 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 22.4 mt -46.49 -50.35 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.1 p -48.94 -44.71 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.91 -18.73 37.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.463 ' CB ' HG12 ' A' ' 19' ' ' ILE . 6.8 mm-40 -72.66 -53.09 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD21 ' CD2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -79.11 122.71 26.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -142.85 148.47 37.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 22.3 ttp-105 -54.31 125.76 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 121.68 -23.3 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.12 161.1 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -117.05 95.75 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 24.6 mm -52.54 127.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 96' ' ' GLN . 23.0 mt -112.89 -47.58 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 p -148.24 150.67 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.042 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 83' ' ' ALA . 4.4 t -125.0 114.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 62.6 44.28 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.39 46.15 93.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.1 t -126.03 118.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.5 115.2 5.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -137.28 18.56 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -40.83 -69.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -103.99 52.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -104.5 147.63 27.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -64.64 160.87 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -49.51 -37.46 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' ALA . 14.1 tt0 -71.58 -53.65 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -48.65 -36.01 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.13 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -80.6 -34.56 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.61 -20.75 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' A' ' 67' ' ' VAL . . . -82.81 -48.31 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.62 -17.6 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -45.23 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.04 -7.22 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.535 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -67.5 111.38 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.471 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -72.95 -161.59 6.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -55.58 -52.13 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.76 97.96 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.535 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 2.5 t -105.26 134.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -101.69 101.95 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.06 117.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.95 102.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.14 156.75 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.478 ' HG3' ' CD1' ' A' ' 65' ' ' LEU . 4.0 mt-30 -104.8 108.61 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -52.47 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' GLN . 5.9 mmt180 -131.93 89.44 38.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.7 19.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.57 -37.29 82.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.8 mm-40 -74.36 -61.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.9 t80 -39.29 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 29.5 t -38.19 -44.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -51.04 -53.89 29.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -65.71 -35.99 82.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.564 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.4 mm-40 -53.53 -54.92 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -58.11 -62.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.1 116.53 12.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -154.58 6.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.18 -55.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.0 m 63.67 151.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 p -172.04 160.98 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.984 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -117.41 167.24 11.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.58 -149.8 8.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.16 171.2 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.65 130.9 53.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.21 -176.78 46.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.138 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.72 130.58 29.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.11 21.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.39 -173.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.54 -92.24 1.28 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -120.65 27.34 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.77 87.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -117.06 -60.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 mt-10 -49.85 173.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HB3' ' CD2' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 121.67 6.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HD3' ' CG1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -93.52 176.03 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 125.95 51.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' CG2' HD23 ' A' ' 21' ' ' LEU . 5.1 mt -131.52 125.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.49 103.27 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD23 ' CG2' ' A' ' 19' ' ' ILE . 1.6 mm? -99.0 136.17 39.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.7 m80 -99.83 101.7 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' CG ' HD11 ' A' ' 28' ' ' LEU . 18.2 mtmt -40.08 113.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.8 -71.61 1.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 68.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 p 50.78 49.14 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.75 159.93 21.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 2.1 mm? -83.78 -9.8 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.8 45.43 6.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 2.3 p90 -169.34 146.08 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.51 172.81 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -139.85 151.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.549 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.2 m -139.38 179.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.52 165.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' HIS . . . 131.15 65.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.2 mt-10 -134.87 108.31 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 16.1 m-20 68.75 -65.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -168.54 28.23 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 42' ' ' PHE . . . 155.53 124.2 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.563 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 10.4 mm -75.72 157.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' ARG . 98.3 m-85 -164.27 149.06 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 39.5 t -72.97 127.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -90.61 -17.14 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 47' ' ' LEU . 27.3 t80 178.24 163.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -130.98 110.13 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.535 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 5.8 tp -40.4 154.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.93 116.99 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.65 -8.01 77.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.85 179.64 10.33 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.407 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.94 -34.19 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' HA ' ' CD1' ' A' ' 21' ' ' LEU . . . -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.05 -58.21 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.83 -50.17 18.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -45.16 -45.64 11.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.01 -27.63 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' CB ' HG12 ' A' ' 19' ' ' ILE . 16.0 mt-10 -66.54 -56.48 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 1.2 tp -67.88 123.12 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -139.96 142.33 36.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 21.3 ttp-105 -49.24 129.09 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.4 -26.24 9.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -66.17 126.55 29.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.573 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.3 ttp85 -81.73 128.36 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 67' ' ' VAL . 35.4 mm -73.08 87.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' ' 16' ' ' PRO . 2.3 mm? -63.65 -55.54 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 21.0 p -144.51 151.78 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 64' ' ' ILE . 2.5 t -128.01 141.27 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' VAL . 26.2 t-20 39.57 29.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 76.54 53.76 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -129.14 146.53 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.76 111.64 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HA ' ' CB ' ' A' ' 75' ' ' ALA . 18.3 mt -123.68 3.61 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -38.66 -60.98 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -108.01 41.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -98.92 166.37 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.3 p -83.58 -164.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t-160 -82.04 -45.86 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.579 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.65 -38.34 86.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -41.8 88.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.11 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.24 -45.54 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.38 -17.48 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.04 47.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -96.49 -16.7 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -16.51 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -15.13 25.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.459 ' CB ' HG23 ' A' ' 91' ' ' VAL . . . -72.26 -144.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.04 -144.96 5.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.55 -51.86 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 106.52 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 HG23 ' CB ' ' A' ' 87' ' ' ALA . 3.1 t -120.99 125.96 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -94.82 100.23 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.416 ' CD1' HD21 ' A' ' 21' ' ' LEU . 3.8 mp -95.44 113.87 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 39.8 t -103.11 101.21 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ARG . . . -122.89 161.61 23.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 96' ' ' GLN . 1.7 pt20 -118.54 113.17 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.83 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -137.69 85.81 19.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.5 Cg_endo -74.98 -33.74 4.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.0 -34.05 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -80.27 -60.82 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 106' ' ' GLU . 78.4 t80 -57.78 -17.02 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' PRO . 7.5 t -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -55.35 -45.98 76.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 102' ' ' TYR . 24.8 m-85 -68.63 -30.53 69.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.539 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 2.0 mm-40 -58.02 -61.94 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.69 -54.81 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m -52.42 -57.51 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -54.19 150.16 15.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -79.69 103.67 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 54.3 p -155.61 169.27 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -135.28 169.04 18.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -140.24 97.85 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.75 -151.43 16.65 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -179.01 151.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.44 172.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.37 7.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -95.59 147.27 32.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.574 0.808 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.35 -153.88 9.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.33 -166.61 11.87 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.49 26.46 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 73.34 82.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.79 -44.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.96 172.94 8.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.3 Cg_endo -74.99 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptp85 -83.08 175.11 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -101.91 128.29 48.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.513 HD11 ' CD ' ' A' ' 17' ' ' ARG . 6.0 mt -133.35 111.86 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.2 mt -100.36 99.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 58' ' ' LEU . 71.1 mt -95.4 139.2 32.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 12.2 m170 -103.47 102.84 12.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.8 mtmt -39.19 110.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.86 -57.4 5.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 -57.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.9 p -72.64 -49.91 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.78 -145.7 5.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 mm? -86.91 -9.04 56.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.76 42.48 8.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 2.3 p90 -168.67 148.67 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.18 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.1 152.45 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.0 OUTLIER -139.2 162.77 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.67 -148.24 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.76 38.55 11.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -132.82 120.42 21.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 t0 46.33 27.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.63 71.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.37 -32.9 66.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.17 160.5 9.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.7 mm -105.08 139.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 13.0 m-85 -138.92 159.07 43.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 26.7 t -79.53 136.61 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.81 -37.53 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 76.2 t80 -157.54 167.55 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -134.59 118.56 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD13 ' CA ' ' A' ' 50' ' ' GLY . 2.9 tm? -53.84 138.55 35.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.33 -13.31 60.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.26 -177.32 9.55 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -32.33 5.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.82 66.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 53' ' ' ASP . 27.4 t0 -89.25 -58.16 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 19.8 mt -47.91 -55.26 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -39.56 -50.11 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.66 -2.02 79.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.18 -46.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -83.31 124.19 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' NH2' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -138.92 161.38 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 30.6 ttp180 -66.41 82.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' ' NH2' ' A' ' 59' ' ' ARG . . . 149.32 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.38 111.22 11.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -61.62 124.81 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.417 ' N ' ' O ' ' A' ' 41' ' ' ILE . 14.7 mm -80.01 99.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.89 -55.45 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.4 p -146.14 167.12 24.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.047 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.556 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -130.47 131.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' VAL . 4.1 t-20 39.12 29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 86.03 47.91 4.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 74.1 t -122.18 119.88 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -70.89 105.65 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ASN . 96.0 mt -121.56 10.94 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.3 mtp180 -38.23 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 4.1 m120 -147.48 69.17 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.41 ' CB ' HD23 ' A' ' 72' ' ' LEU . . . -122.57 173.91 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.4 p -90.05 166.87 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -55.69 -48.64 74.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -62.36 -53.04 60.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -49.75 -31.33 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.66 -41.3 46.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.64 -43.29 76.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.79 -27.52 63.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.514 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -73.45 -30.54 63.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD11 ' CZ ' ' A' ' 30' ' ' PHE . 50.3 mt -85.36 -22.8 28.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.52 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -8.62 52.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' HB2' ' CG2' ' A' ' 91' ' ' VAL . . . -65.9 -135.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.66 -144.8 5.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 0.9 OUTLIER -70.6 -52.67 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.98 103.06 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' A' ' 87' ' ' ALA . 3.5 t -117.36 136.71 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.0 m -104.14 101.09 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.61 118.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.9 t -104.77 101.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -127.38 156.94 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.464 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -123.75 131.63 53.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -50.73 156.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.42 92.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -45.8 -60.0 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.0 -70.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 20.0 t80 -41.82 -35.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -23.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -32.02 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' A' ' 33' ' ' VAL . 32.5 m-85 -90.58 -33.58 15.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.5 -61.23 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -62.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.3 160.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -96.96 -158.53 31.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.86 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.48 119.3 15.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.1 m -55.63 -57.8 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -162.67 153.0 16.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m 61.29 152.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.7 -175.27 35.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.73 105.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -84.22 154.9 22.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 80.3 1.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -130.35 128.9 22.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.32 12.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 157.74 31.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.95 90.81 0.6 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.75 84.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 14' ' ' ARG . . . -119.95 -130.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 78.77 -47.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.07 170.91 4.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 129.54 12.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.459 ' NH1' ' HB3' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -113.38 131.37 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.85 108.43 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 93' ' ' ILE . 4.5 mt -107.9 127.65 63.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.04 108.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 52' ' ' ALA . 22.2 mt -105.25 144.88 31.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 33.8 m170 -109.37 97.91 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' CG ' HD11 ' A' ' 28' ' ' LEU . 8.0 mtmt -38.6 113.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.39 -71.9 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.438 ' C ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -102.42 -69.35 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 25' ' ' SER . 23.1 p -151.03 40.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.09 168.06 41.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.2 mm? -88.48 -9.83 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.22 45.95 7.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.8 p90 -172.94 147.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -102.52 172.24 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' C ' ' CG1' ' A' ' 33' ' ' VAL . 1.3 pt -142.57 167.55 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -149.55 173.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.56 -163.83 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.26 33.92 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' GLY . 3.2 mm-40 -127.61 120.64 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 45.0 27.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.11 56.41 19.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.36 -32.85 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.14 152.03 6.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 20.6 mm -93.62 147.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 31.6 m-85 -147.95 150.33 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG2' ' OD1' ' A' ' 62' ' ' ASP . 11.4 t -71.04 130.81 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -94.1 -16.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 63.4 t80 177.2 166.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.498 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.6 mm -132.05 121.62 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD12 ' CA ' ' A' ' 50' ' ' GLY . 2.9 tm? -56.75 138.79 52.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' C ' HD13 ' A' ' 47' ' ' LEU . . . -80.35 118.99 22.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.03 63.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -64.66 -179.0 6.6 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -31.37 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 21' ' ' LEU . . . -71.99 -17.83 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -98.37 -58.66 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 24.8 mt -49.05 -50.85 34.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.2 p -41.5 -47.06 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.79 -17.02 58.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.97 -66.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' HG ' ' CD1' ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.18 124.7 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -143.14 143.61 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 5.8 ttm180 -50.07 131.59 23.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 100.8 25.43 8.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.512 ' OD1' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -93.76 163.62 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 62.1 ttt180 -114.33 87.08 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.496 ' HA ' ' CB ' ' A' ' 95' ' ' ALA . 17.8 mm -51.76 132.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 33.1 mt -113.53 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.5 p -155.21 166.14 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.572 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -129.8 133.78 64.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.5 t-20 38.8 30.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 85.39 45.64 5.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.572 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 88.1 t -118.15 112.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -67.82 107.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 HD11 ' CG1' ' A' ' 67' ' ' VAL . 8.0 mt -131.1 20.36 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -42.58 -31.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.9 72.97 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.48 179.31 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.1 p -92.8 157.93 16.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 4.7 t-160 -48.79 -49.35 39.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.9 -54.71 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.35 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.02 -44.04 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.76 -31.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.547 ' HB1' ' CG1' ' A' ' 67' ' ' VAL . . . -66.79 -58.67 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.51 -18.01 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 -39.1 20.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 1.1 ptt85 -82.67 -8.39 59.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . . . -64.5 -136.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -178.57 -143.41 5.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -71.64 -52.72 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 97.71 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 87' ' ' ALA . 4.7 t -112.06 132.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ASN . 54.7 m -101.12 99.6 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' ILE . 5.4 mp -91.82 121.62 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.96 100.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.507 ' CB ' ' OD2' ' A' ' 62' ' ' ASP . . . -133.27 152.03 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' NE2' HD12 ' A' ' 65' ' ' LEU . 4.4 pt20 -116.5 124.95 51.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.57 150.67 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.84 86.5 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.88 6.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.17 -54.57 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 4.0 mm-40 -64.65 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -43.23 -33.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -50.84 -30.08 13.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -61.19 -27.6 68.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -89.97 -45.55 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -41.4 -60.14 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -55.47 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -59.69 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 56.04 162.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.57 8.73 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 t -70.46 102.09 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -130.81 -58.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.26 137.77 3.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -117.22 127.53 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.047 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.92 -86.21 0.24 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.29 134.55 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.25 117.31 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.63 93.24 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.85 129.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 71.59 4.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.26 -146.86 39.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . 178.45 -127.82 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 39.15 79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.43 70.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' GLU . 7.3 mmt85 -117.64 -59.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.58 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -46.59 174.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.03 133.28 16.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -110.09 141.51 42.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 8.0 ttpt -73.75 108.2 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.481 HG12 ' CB ' ' A' ' 57' ' ' GLU . 3.3 mt -104.47 90.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mt -81.29 98.38 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.9 mt -98.92 142.97 29.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' LYS . 49.0 m80 -109.32 100.57 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' HIS . 10.0 mtmt -38.17 114.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.98 -72.03 0.7 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -56.43 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 26' ' ' THR . 1.6 t -158.1 25.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.28 161.36 29.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.454 ' CD1' ' CD1' ' A' ' 84' ' ' LEU . 77.4 mt -93.29 -9.35 39.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.04 42.9 11.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.2 p90 -177.54 146.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.72 176.99 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.48 159.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.5 m -139.92 177.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 -171.83 25.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.5 6.89 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -118.12 117.7 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 55.75 39.54 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.32 55.86 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -86.97 -31.48 20.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.82 -168.85 22.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.6 mm -131.13 149.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 62.2 m-85 -151.08 148.75 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 47.7 t -64.17 139.16 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -103.1 -38.8 7.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.7 t80 -158.23 165.34 35.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.65 121.57 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -63.79 151.31 42.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.99 108.98 21.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.76 -10.22 32.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.19 -175.26 21.0 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.99 -31.97 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 28' ' ' LEU . . . -67.06 -33.69 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -87.44 -57.81 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.8 mt -46.23 -58.58 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -46.16 -43.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.9 24.98 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.6 mm-40 -106.21 -48.85 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -81.5 138.38 35.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.89 150.13 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.07 113.22 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.22 5.31 9.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.28 127.68 37.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 20.3 ttt180 -79.58 118.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 HD13 ' CG2' ' A' ' 93' ' ' ILE . 8.3 mm -73.46 106.76 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.71 -55.42 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 12.8 p -146.65 157.44 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' C ' ' N ' ' A' ' 69' ' ' GLY . 2.1 t -128.04 138.22 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.5 t-20 39.64 29.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 77.78 55.84 4.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.532 ' O ' ' CB ' ' A' ' 66' ' ' SER . 2.7 p -132.17 144.46 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -88.69 109.96 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 73' ' ' ARG . 10.8 mt -123.62 -0.21 8.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtp180 -37.12 -37.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -136.41 49.33 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.58 162.25 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 45.6 p -80.95 164.85 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.08 -39.16 66.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.75 -56.0 16.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -54.1 -39.59 66.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.41 ' CB ' HD13 ' A' ' 41' ' ' ILE . . . -68.67 -28.68 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -80.48 -45.69 17.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.98 -24.51 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB3' ' CG1' ' A' ' 67' ' ' VAL . . . -74.69 -22.19 58.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 1.7 mm? -95.82 -23.84 16.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -25.27 24.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 -8.0 49.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 91' ' ' VAL . . . -72.69 -143.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -165.17 -154.16 7.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.04 -51.92 67.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.287 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 99.17 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 87' ' ' ALA . 6.6 t -108.66 137.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.424 ' CG2' ' CG ' ' A' ' 18' ' ' LYS . 52.6 m -104.64 100.57 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.423 ' CG2' HD13 ' A' ' 64' ' ' ILE . 5.1 mp -98.88 109.81 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 41.6 t -97.13 100.93 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . . . -127.2 152.25 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.478 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -111.26 130.84 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.66 97.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.87 82.6 49.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.46 17.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.96 -44.82 95.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.6 mm-40 -71.85 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 74.8 t80 -42.78 -33.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 t -50.75 -27.59 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.36 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 29.7 m-85 -86.3 -39.98 15.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -44.99 -53.47 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.53 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.8 121.26 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.76 -140.33 11.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 95.24 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -83.0 137.98 33.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' SER . 19.0 p 39.35 84.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -123.84 171.85 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.66 170.16 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -140.75 13.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t 75.4 -57.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -46.37 135.63 7.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.97 -165.12 18.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 66.05 140.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.54 157.43 26.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.23 -118.58 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER 40.62 83.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.57 69.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -117.1 -40.43 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.7 mt-10 -67.09 173.78 2.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.04 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -100.78 155.32 17.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -87.0 103.81 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' CG2' HD23 ' A' ' 21' ' ' LEU . 6.0 mt -105.05 115.0 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.0 mt -102.15 102.22 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD23 ' CD1' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -94.94 136.55 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -101.9 103.5 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 84' ' ' LEU . 3.9 mttm -44.79 113.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 -40.82 10.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.75 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -74.85 -46.24 37.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 -137.29 4.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mm? -92.46 -11.98 33.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.22 35.43 23.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.5 p90 -161.89 143.56 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.37 175.6 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pt -144.09 153.27 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 105' ' ' PHE . 1.7 m -144.08 160.65 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.97 -167.05 12.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.17 42.6 2.03 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.01 123.58 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.81 19.13 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.24 49.27 77.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -81.82 -19.17 41.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.21 18.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.7 mm -108.8 161.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 71.5 m-85 -157.33 146.57 20.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.53 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 53.3 t -68.51 134.63 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.463 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.31 -32.41 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 49.1 t80 -165.66 167.32 17.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -135.3 121.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.5 tp -61.24 151.26 32.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.88 110.51 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 110.16 -13.89 31.15 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -69.27 -174.54 11.02 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.99 -34.3 3.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -70.79 -7.9 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.0 -52.18 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 82.6 mt -60.04 -52.56 64.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 87.6 p -38.33 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . 91.62 4.19 68.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.4 mm-40 -121.86 -172.55 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' CD1' HD23 ' A' ' 21' ' ' LEU . 0.5 OUTLIER 61.13 135.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' N ' HD22 ' A' ' 58' ' ' LEU . 13.9 mtt180 -146.69 146.55 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 106' ' ' GLU . 48.8 ttt180 -58.15 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . 139.75 43.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.41 126.59 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 12.8 ttt180 -75.01 113.15 11.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.8 mm -68.17 112.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 63' ' ' ARG . 4.2 mm? -80.65 -50.96 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 26.9 p -155.69 169.25 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.572 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -128.85 123.75 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 48.89 22.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 92.93 42.97 4.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.572 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 57.8 t -117.34 115.35 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -67.3 107.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' ASN . 75.8 mt -120.45 5.14 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' LEU . 25.7 mtp180 -37.96 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.6 m120 -140.13 67.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.67 156.68 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -77.62 172.47 13.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -56.55 -56.21 24.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ALA . 3.5 tt0 -50.15 -58.6 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -47.3 -39.99 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.55 -35.61 79.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -75.71 -53.06 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.89 -22.78 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.519 ' CB ' HG13 ' A' ' 67' ' ' VAL . . . -74.64 -32.57 62.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.9 mm? -83.34 -15.99 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -25.29 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.74 -9.16 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 91' ' ' VAL . . . -72.43 -140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.21 -131.55 1.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -83.03 -52.68 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 95.1 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 87' ' ' ALA . 5.3 t -113.15 135.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.438 ' CG2' ' HG3' ' A' ' 18' ' ' LYS . 26.1 m -103.39 99.79 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.9 mp -93.65 108.73 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -93.87 101.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -128.17 147.9 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.472 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -111.79 127.43 55.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.79 84.41 63.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.09 9.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.64 -35.32 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -84.83 -49.07 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.544 ' CD2' ' HG2' ' A' ' 106' ' ' GLU . 60.8 t80 -56.26 -16.88 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 -50.8 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -45.87 -54.3 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CD1' HG22 ' A' ' 33' ' ' VAL . 34.3 m-85 -65.2 -42.03 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.544 ' HG2' ' CD2' ' A' ' 102' ' ' TYR . 3.6 mm-40 -42.07 -55.32 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -59.57 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.0 m -66.48 115.55 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -118.36 157.89 15.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.46 16.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.93 83.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.064 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -112.12 172.47 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -166.59 107.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.05 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -124.6 169.3 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.37 19.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.74 158.98 39.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -175.14 148.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.8 179.59 46.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.15 136.09 20.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -172.35 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.44 141.63 3.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.94 156.23 6.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.417 ' HB2' ' NE ' ' A' ' 14' ' ' ARG . 7.4 m-20 -102.86 22.94 12.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 68.1 71.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -138.71 -48.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.4 mt-10 -78.52 173.88 6.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.07 156.83 42.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.0 -179.3 6.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.436 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 10.2 ttmt -107.31 118.89 37.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.483 HG21 ' CD2' ' A' ' 21' ' ' LEU . 8.2 mt -121.72 108.23 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' A' ' 92' ' ' THR . 1.7 mt -90.86 101.6 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD2' HG21 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -95.64 135.94 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' LYS . 27.2 m-70 -109.54 93.39 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' CG ' HD23 ' A' ' 28' ' ' LEU . 2.3 mtmt -37.14 109.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.59 -70.91 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.47 75.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p 46.3 29.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.95 151.68 23.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 27.4 mt -84.01 -9.21 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.28 30.49 30.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 1.7 p90 -167.63 143.7 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 1.1 t-20 -95.81 176.25 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 pt -136.9 154.25 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -141.36 177.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.44 -165.98 13.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.97 27.37 5.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.79 119.03 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 41.11 32.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 55.98 51.71 53.7 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -10.07 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.23 151.05 21.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -93.84 135.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 m-85 -133.46 166.97 21.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.59 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 39.8 t -85.12 127.37 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -84.73 -34.33 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 64.3 t80 -163.54 166.6 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.3 mm -133.9 126.34 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' C ' ' A' ' 47' ' ' LEU . 3.1 tm? -69.47 139.41 53.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.35 106.56 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.92 -12.54 17.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -75.75 -173.09 33.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.95 -34.79 3.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HB3' ' CD1' ' A' ' 58' ' ' LEU . . . -68.33 -16.46 63.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.92 -53.95 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 39.5 mt -54.14 -53.78 48.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 93.7 p -38.02 -33.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 71.14 30.76 67.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 1.8 mm-40 -127.6 -64.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -56.11 146.78 21.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 10.2 mtt85 -145.77 152.19 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.2 ttp-105 -71.79 95.83 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 147.22 -23.24 1.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 160.31 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -112.64 112.07 23.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.9 mm -61.51 134.41 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.3 mt -112.1 -54.69 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -135.6 159.58 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.555 ' C ' ' H ' ' A' ' 69' ' ' GLY . 0.9 OUTLIER -119.86 102.84 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.34 -39.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 67' ' ' VAL . . . 179.64 -27.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 69' ' ' GLY . 4.4 m -53.08 -170.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -130.72 116.59 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.0 mt -128.9 40.33 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -68.19 -33.16 73.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 4.5 m-20 -146.06 25.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.72 161.65 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -80.8 153.35 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -43.26 -47.35 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.43 -56.56 17.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -49.02 -47.6 44.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.448 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -62.12 -35.24 78.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.66 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.45 -19.47 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' HB1' ' CG1' ' A' ' 67' ' ' VAL . . . -81.94 -29.38 32.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 80' ' ' ALA . 1.6 mm? -82.76 -18.96 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -28.54 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' NH2' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -93.85 -7.58 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.501 ' HB1' ' CG1' ' A' ' 91' ' ' VAL . . . -80.11 117.61 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.24 -133.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -89.83 -52.74 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.21 96.47 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.501 ' CG1' ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -114.33 136.25 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 20' ' ' ILE . 3.1 m -94.19 100.67 12.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.453 ' HB ' ' CD2' ' A' ' 21' ' ' LEU . 3.8 mp -91.94 113.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.8 t -99.65 101.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -121.62 164.44 17.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.6 pt20 -127.32 120.95 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -53.66 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -128.45 82.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.2 Cg_endo -74.98 -38.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -49.68 -22.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.62 -43.72 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 71.8 t80 -70.74 -20.94 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -40.31 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.64 -54.01 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.84 -41.57 95.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.558 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.2 mm-40 -43.48 -51.38 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 t -51.38 -56.62 12.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.97 99.33 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.37 176.33 16.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.11 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -82.26 107.72 15.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 p -158.89 169.42 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.99 141.49 26.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -131.3 175.24 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' HG22 ' A' ' 94' ' ' VAL . 2.5 mttt -100.49 137.59 38.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.645 HG21 ' HB2' ' A' ' 58' ' ' LEU . 5.4 mt -136.21 89.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 92' ' ' THR . 2.9 mt -82.06 106.25 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 58' ' ' LEU . 35.2 mt -105.23 135.41 46.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -95.76 104.83 16.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -42.78 111.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 -43.77 8.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.2 p 177.18 -64.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -63.63 -35.97 82.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.31 -141.45 7.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -91.82 -9.94 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 84.58 38.5 9.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.0 p90 -164.27 144.92 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.16 175.78 6.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 pt -143.7 153.12 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.4 m -139.11 177.2 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.11 -165.41 17.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.06 21.17 8.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 38' ' ' GLY . 5.9 mt-10 -113.66 122.28 46.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 40.94 32.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.4 49.0 58.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -21.01 60.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.49 146.45 8.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 5.5 mm -86.79 154.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 33' ' ' VAL . 60.5 m-85 -156.36 142.01 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 58' ' ' LEU . 68.3 t -64.07 136.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.495 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.0 -32.88 11.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 48.8 t80 -162.84 161.8 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.817 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -132.63 117.83 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.2 tp -54.27 152.87 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.19 110.27 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.98 -10.88 40.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.97 -177.87 12.84 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -29.57 8.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.64 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.94 -56.28 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 25.6 mt -50.75 -56.25 12.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 92.1 p -40.76 -30.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 66.44 40.19 94.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' ILE . 17.3 mm-40 -130.09 -65.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.817 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -62.59 137.03 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -140.2 150.56 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.52 123.95 20.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.07 -18.16 14.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.79 162.76 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 51.1 ttt180 -116.32 104.5 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 4.7 mm -60.3 130.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 16' ' ' PRO . 40.7 mt -108.51 -53.32 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.4 p -145.12 159.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.4 t -126.71 108.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.2 t-20 79.47 -56.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.32 38.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 66' ' ' SER . 99.4 t -121.35 129.69 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.74 99.55 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.52 14.58 30.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -43.47 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.88 57.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.33 153.09 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -71.34 172.92 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -58.64 -54.42 47.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.5 tt0 -51.85 -56.48 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -48.01 -50.0 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.84 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.97 -44.71 9.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -27.87 53.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.1 -17.78 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 28' ' ' LEU . 46.7 mt -96.2 -24.77 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -82.43 -22.78 35.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.97 -11.06 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.786 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.84 -142.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.25 -132.68 1.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.4 -52.16 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.32 92.47 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.786 HG22 ' HB1' ' A' ' 87' ' ' ALA . 21.2 t -100.43 127.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.437 HG23 HG13 ' A' ' 20' ' ' ILE . 87.4 m -94.87 101.77 13.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -95.57 105.74 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 18' ' ' LYS . 96.8 t -91.8 101.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.18 161.47 26.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 5.3 pt20 -128.05 119.08 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.13 95.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 84.31 58.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.42 13.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.59 -35.66 72.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' SER . 3.5 mm-40 -81.46 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 77.7 t80 -43.07 -25.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' GLU . 28.0 t -38.78 -50.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.53 -54.26 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 144.53 30.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.12 137.91 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.86 110.52 10.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 21' ' ' LEU . 7.0 mt -113.27 120.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 HG23 ' A' ' 92' ' ' THR . 4.3 mt -112.28 104.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.703 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.2 mm? -95.19 142.41 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 35.4 m80 -102.87 99.7 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.5 mtmt -40.08 112.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.18 -55.36 5.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.19 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -61.68 -43.5 98.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.58 -140.33 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 21' ' ' LEU . 12.7 mt -93.9 -8.95 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . 85.95 26.07 35.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.8 p90 -166.09 145.95 6.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.772 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.45 174.96 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.32 159.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -146.9 172.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.6 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.11 39.25 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' GLY . 1.4 mm-40 -131.26 123.72 29.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 45.94 27.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 54.2 57.92 14.95 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -85.83 -31.61 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.3 164.95 10.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ILE . 5.5 mm -108.43 142.19 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 47.1 m-85 -140.79 167.62 21.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 41.9 t -85.66 137.46 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.546 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.68 -31.42 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 54.4 t80 -167.15 168.09 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.84 116.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 48' ' ' ALA . 3.3 tm? -58.84 144.31 44.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.728 ' N ' HD13 ' A' ' 47' ' ' LEU . . . -91.29 110.17 21.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.59 -13.22 27.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.93 -175.66 24.94 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.2 Cg_endo -75.0 -33.41 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -67.31 -30.16 69.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -91.21 -56.6 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 20.4 mt -49.01 -57.61 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 67.0 m -43.89 -30.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.37 14.07 71.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.0 -75.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.55 146.5 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' H ' HD23 ' A' ' 58' ' ' LEU . 4.0 mtt85 -141.12 164.0 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' ILE . 5.3 ttt180 -80.74 102.65 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.22 -25.55 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -47.63 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 60.5 ttt180 -121.05 102.76 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 ' HB2' ' A' ' 95' ' ' ALA . 48.7 mm -57.29 130.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.5 mt -111.43 -49.15 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 9.7 p -145.49 157.62 43.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.71 126.18 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.8 t-20 52.74 28.75 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.29 37.84 23.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 66' ' ' SER . 93.1 t -116.13 128.02 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.45 117.98 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.4 15.86 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -45.29 -42.01 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -131.34 52.84 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.06 156.3 18.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -75.69 165.98 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -51.21 -54.95 20.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.582 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.1 tt0 -52.81 -55.83 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -50.71 -36.56 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.4 -23.16 61.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.41 -47.33 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.17 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.29 -19.45 42.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 91' ' ' VAL . 54.0 mt -97.13 -27.57 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -18.56 57.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -19.81 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.751 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.79 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -171.38 -141.65 3.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -51.59 63.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.01 100.27 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.751 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -110.2 126.36 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' HE2' ' A' ' 18' ' ' LYS . 28.4 m -94.24 100.82 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.701 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -101.0 111.44 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.04 100.72 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.928 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.25 157.97 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -122.26 130.66 53.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -58.42 96.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.86 83.84 33.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.82 -48.29 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.8 mm-40 -67.76 -59.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 63.2 t80 -42.51 -34.99 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -49.65 -28.25 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -63.71 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.627 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.01 167.0 28.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -153.85 131.64 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -73.74 110.02 7.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 HD22 ' A' ' 21' ' ' LEU . 3.4 mt -110.18 139.98 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG13 HG23 ' A' ' 92' ' ' THR . 3.8 mt -124.35 105.07 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 93' ' ' ILE . 2.4 mm? -96.86 147.15 24.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' LYS . 16.3 m-70 -112.65 105.07 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' HIS . 4.3 mttm -39.98 111.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.73 -48.94 25.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.81 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -92.19 -42.88 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.01 -146.53 8.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -83.77 -8.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 75.26 46.41 15.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.6 p90 -169.86 148.56 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.03 171.33 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.2 pt -138.32 155.3 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -140.38 177.23 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.22 -174.46 23.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.44 47.29 0.87 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 16.5 mt-10 -140.41 120.88 14.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t0 46.47 37.97 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.58 56.44 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 1.3 pt-20 -85.02 -29.74 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.18 -172.48 17.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 6.0 mm -128.36 144.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' CE1' ' NH2' ' A' ' 104' ' ' ARG . 30.0 m-85 -146.38 144.5 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.562 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.5 t -62.09 140.55 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.573 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -103.33 -18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 79.1 t80 178.77 165.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.3 mm -131.68 122.01 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -57.93 139.0 55.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.647 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.38 112.55 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.77 53.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.55 -175.18 9.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' C ' HD12 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.96 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.74 -18.37 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -57.1 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 12.5 mt -48.02 -45.52 32.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -56.05 -42.63 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.23 -20.48 29.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.64 -65.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 43' ' ' VAL . 1.1 tp -64.59 124.37 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.98 150.25 44.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 14.8 ttp-105 -54.0 125.31 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 118.64 -33.48 4.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.53 153.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 57.3 ttt180 -112.65 102.29 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 95' ' ' ALA . 50.6 mm -56.93 128.3 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 16' ' ' PRO . 35.0 mt -110.16 -41.1 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 36.1 p -156.57 151.54 26.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.832 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.18 130.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.28 19.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 86.45 45.07 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.832 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -119.2 147.43 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -89.69 109.99 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.73 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.5 mt -123.05 4.43 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.4 mtp180 -37.8 -42.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -133.04 49.41 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -106.79 155.64 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 p -78.41 156.06 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -40.36 -56.21 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.2 tt0 -51.12 -58.42 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -46.47 -45.99 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.82 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -77.69 -46.4 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 -27.42 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.63 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 28' ' ' LEU . 1.7 mm? -84.92 -21.09 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -90.04 -9.45 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.851 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -69.05 -141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.05 -136.33 2.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -74.42 -51.22 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.42 96.87 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.851 HG22 ' HB1' ' A' ' 87' ' ' ALA . 16.5 t -106.17 130.43 57.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.632 HG23 HG13 ' A' ' 20' ' ' ILE . 17.0 m -97.3 100.72 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.815 HD13 HD23 ' A' ' 21' ' ' LEU . 5.0 mp -99.69 115.26 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 18' ' ' LYS . 58.5 t -102.59 101.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.56 166.08 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.84 127.08 45.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.53 97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -134.34 82.8 45.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -26.99 10.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.28 -57.38 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.491 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.3 mm-40 -57.99 -58.92 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 85.6 t80 -54.7 -20.55 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 100' ' ' GLU . 5.6 t -48.73 -32.14 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.598 ' NH2' ' CE1' ' A' ' 42' ' ' PHE . 5.3 ptt85 -62.54 -34.45 76.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 33' ' ' VAL . 12.8 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.605 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 150.03 37.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' CG ' HD11 ' A' ' 19' ' ' ILE . 1.3 ptm180 -135.3 137.0 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HA ' HG22 ' A' ' 94' ' ' VAL . 2.1 tttp -73.67 110.25 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.629 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.1 mt -113.33 110.81 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 4.3 mt -102.04 106.13 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 58' ' ' LEU . 1.4 mm? -95.58 142.63 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 6.8 m170 -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' HD13 ' A' ' 28' ' ' LEU . 6.9 mttm -39.73 118.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.6 -40.49 6.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.66 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -68.36 -54.39 17.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.44 -134.85 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.13 -9.53 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.24 36.34 18.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 p90 -162.4 146.44 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.33 170.37 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.439 HD12 ' HD2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -135.27 151.69 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -139.84 174.55 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 -168.14 15.0 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 34.34 3.28 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -127.97 121.35 29.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 44.72 38.55 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.29 60.8 3.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.1 pt-20 -88.98 -30.32 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 133.58 172.55 12.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -115.89 138.0 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 89.9 m-85 -133.86 162.3 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 37.4 t -81.93 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.535 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -88.04 -32.34 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.3 t80 -168.61 165.84 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.717 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -129.96 116.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -54.93 151.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -97.16 108.95 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.07 -11.89 29.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.24 -174.61 19.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.96 -33.62 4.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.97 65.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -57.7 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 18.9 mt -49.2 -56.38 9.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 58.6 m -40.45 -50.13 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.5 -12.44 68.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.51 -74.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -50.63 145.15 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.483 ' H ' HD23 ' A' ' 58' ' ' LEU . 9.2 mtt180 -145.28 151.73 38.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -68.6 115.48 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.71 -26.19 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.19 173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 0.743 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.6 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -127.73 103.91 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.749 HD13 ' HB2' ' A' ' 95' ' ' ALA . 9.5 mm -59.29 129.58 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.0 mt -109.43 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.6 p -144.97 153.2 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.799 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.28 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER 39.63 29.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.88 56.96 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -133.19 147.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -89.77 110.72 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.736 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.9 mt -123.5 3.14 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' LEU . 21.7 mtp180 -38.5 -41.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -129.57 52.12 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -110.36 163.67 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -87.6 162.55 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HD2' HD12 ' A' ' 32' ' ' ILE . 17.8 t-160 -49.4 -42.83 43.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.0 tt0 -63.8 -51.87 62.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -51.03 -48.91 61.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.38 66.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.36 -43.06 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.64 71.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -72.41 -15.08 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 28' ' ' LEU . 48.1 mt -95.03 -29.56 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -16.39 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -91.26 -19.08 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.05 -142.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.04 -128.3 0.99 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.551 ' C ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -84.24 -39.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.49 97.97 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.907 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.7 t -109.11 139.77 30.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.2 m -103.7 100.58 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.783 HG13 HG22 ' A' ' 67' ' ' VAL . 3.2 mp -99.82 114.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 18' ' ' LYS . 66.1 t -103.56 100.53 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.53 156.29 39.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.92 131.33 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.78 93.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.92 83.43 56.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.01 13.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.558 1.82 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.6 -51.56 69.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.9 mm-40 -65.35 -60.54 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 64.9 t80 -42.73 -32.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -51.99 -28.04 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.06 -29.1 70.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 43.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 154.18 42.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -143.88 179.04 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -106.01 128.67 53.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 58' ' ' LEU . 7.1 mt -130.01 112.14 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.24 108.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.943 HD11 HD23 ' A' ' 58' ' ' LEU . 34.0 mt -106.98 128.88 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' LYS . 31.9 m-70 -89.6 107.17 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.1 mtmt -38.27 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 -54.61 1.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.5 OUTLIER -165.16 157.08 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 25' ' ' SER . 69.1 p 47.51 23.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' SER . . . 105.24 -144.44 15.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.0 mm? -77.62 -7.53 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' CA ' ' HB3' ' A' ' 47' ' ' LEU . . . 84.26 43.14 7.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.4 p90 -170.23 148.24 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.99 169.16 9.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -140.29 160.79 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.2 m -145.85 177.02 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.9 -177.84 26.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.29 41.25 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -134.28 123.41 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 44.5 30.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.32 58.34 12.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.4 pt-20 -85.41 -31.96 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 130.95 164.41 11.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.9 mm -108.64 147.78 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 25.6 m-85 -149.92 163.49 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 t -86.94 136.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.78 -13.03 19.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.5 t80 177.93 166.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.5 mm -132.39 121.1 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -54.01 139.48 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.606 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -83.05 118.87 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.28 -12.82 67.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.58 -179.08 13.55 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.01 -30.97 6.58 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.85 -21.67 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.33 -56.24 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.0 mt -48.51 -55.83 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.3 m -40.01 -41.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.21 9.12 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.21 -55.46 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.943 HD23 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -74.17 123.72 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -135.38 147.62 49.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 9.5 ttm180 -54.01 122.48 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 112.76 0.19 25.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.44 116.71 18.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 35.2 ttt180 -74.02 109.57 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.759 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.3 mm -68.31 134.98 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 16' ' ' PRO . 38.7 mt -112.5 -52.99 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.5 p -145.58 152.05 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.4 t -127.81 140.13 49.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.1 28.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.93 56.3 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -132.0 147.23 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.14 110.43 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.737 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.2 mt -122.39 3.84 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -38.08 -40.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -132.72 52.45 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -112.06 153.05 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 p -78.66 160.73 27.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -42.21 -57.52 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -50.91 -58.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -46.34 -45.55 17.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -62.85 -39.92 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.12 67.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -24.14 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -74.0 -18.59 60.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 91' ' ' VAL . 1.8 mm? -96.65 -28.09 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -16.61 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -94.36 -18.44 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.18 -144.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.52 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -170.61 -147.91 5.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -55.52 -51.59 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.33 104.87 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.679 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.7 t -113.24 136.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.479 HG21 ' HE2' ' A' ' 18' ' ' LYS . 18.9 m -105.33 101.19 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.575 HG13 HG22 ' A' ' 67' ' ' VAL . 5.2 mp -101.71 108.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 17' ' ' ARG . 59.4 t -94.44 101.39 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.3 162.8 23.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -122.26 114.6 21.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.32 95.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -135.78 87.07 26.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.4 7.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.407 ' O ' ' OG ' ' A' ' 103' ' ' SER . 3.2 mt-10 -53.89 -32.79 54.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.9 mm-40 -86.2 -51.83 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.506 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -51.12 -28.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 100' ' ' GLU . 60.8 p -55.34 -27.93 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -63.5 -25.31 68.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 14.3 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.0 mt-10 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.0 135.05 18.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -118.4 134.57 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' HG21 ' A' ' 92' ' ' THR . 4.4 ttpt -74.31 107.63 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.654 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.5 mt -109.71 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.502 HG13 HG23 ' A' ' 92' ' ' THR . 4.0 mt -101.07 114.03 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.722 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 mm? -105.59 144.24 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -100.05 102.14 13.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -46.44 113.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.52 -48.99 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 -62.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -63.27 -54.91 29.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -139.14 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.4 mm? -91.56 -10.12 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.01 10.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -162.35 144.61 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.03 176.29 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.91 151.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.0 m -134.1 177.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -159.42 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.81 33.86 6.21 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' ' N ' ' A' ' 38' ' ' GLY . 2.9 mt-10 -126.66 119.42 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 43.82 28.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.9 60.31 8.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.46 -31.68 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.28 142.62 5.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.8 mm -85.86 154.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 67.7 m-85 -155.78 152.28 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 61.4 t -70.78 136.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.494 ' HB3' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -101.57 -35.61 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 36.2 t80 -161.36 164.35 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -133.26 122.03 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.5 tp -58.93 152.81 18.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.54 110.95 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.36 -14.14 36.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.04 -178.15 13.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.94 -33.17 4.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.64 -25.18 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.58 -57.32 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.9 mt -48.55 -55.72 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -40.38 -44.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 -2.06 86.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.13 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -72.65 142.97 48.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -169.19 166.23 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -58.59 116.01 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.36 33.11 1.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.51 151.12 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.664 ' NH1' HD23 ' A' ' 65' ' ' LEU . 46.7 ttt-85 -114.17 99.8 7.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.002 HD13 ' HB2' ' A' ' 95' ' ' ALA . 41.1 mm -57.67 129.27 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD23 ' NH1' ' A' ' 63' ' ' ARG . 17.9 mt -110.34 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 4.3 p -142.86 156.12 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 93' ' ' ILE . 2.6 t -127.48 115.86 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 63.48 31.9 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.97 43.4 27.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 66' ' ' SER . 98.0 t -123.83 125.46 71.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -67.57 113.25 5.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 20.0 mt -130.88 14.3 5.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -44.66 -69.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.45 39.83 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -97.03 147.86 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.4 p -65.71 174.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.829 ' OE1' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -61.92 -60.74 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -45.22 -25.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.12 -40.37 19.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -74.17 -48.12 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB2' ' OE1' ' A' ' 78' ' ' GLU . . . -53.55 -28.12 29.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -68.85 -15.79 63.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 28' ' ' LEU . 2.0 mm? -97.02 -18.07 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -24.85 23.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.34 -7.99 46.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.779 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -73.45 -141.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -168.7 -140.18 2.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -51.51 20.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.99 96.82 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.779 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.3 t -108.81 124.29 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG13 ' A' ' 20' ' ' ILE . 29.3 m -91.69 100.94 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.89 104.88 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.58 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.002 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -124.89 141.65 51.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' HD11 ' A' ' 65' ' ' LEU . 3.5 pt20 -106.75 123.9 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -57.14 100.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -119.88 89.42 42.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.69 19.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.2 -33.04 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.4 mm-40 -85.71 -68.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 22.1 t80 -36.75 -33.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . 71.8 p -46.29 -43.62 15.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 31.5 mtt-85 -49.73 -37.45 29.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.429 1.752 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.599 ' CG ' HD11 ' A' ' 19' ' ' ILE . 3.9 ptm180 -100.81 145.71 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' CE ' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -79.34 111.7 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.599 HD11 ' CG ' ' A' ' 17' ' ' ARG . 3.1 mt -114.31 131.4 66.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.6 103.16 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 93' ' ' ILE . 1.4 mm? -98.87 137.61 37.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -102.7 104.12 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.35 112.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.61 -57.41 1.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -55.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 47' ' ' LEU . 6.3 p -89.17 57.01 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.24 -136.48 32.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 21' ' ' LEU . 1.9 mm? -91.94 -9.14 44.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 81.98 44.85 7.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -169.53 143.36 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.1 t-20 -95.0 174.67 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -143.79 152.87 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -141.77 172.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.25 -154.61 19.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 86.79 2.5 84.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 1.6 mm-40 -86.25 101.14 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 4.5 m-20 82.67 -49.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.9 43.26 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.24 -18.78 41.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.76 171.48 13.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.3 mm -114.66 149.21 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 43.4 m-85 -150.34 149.0 29.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 19.8 t -67.77 138.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.528 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -99.82 -17.43 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 45.3 t80 178.23 162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 ' HG ' ' A' ' 58' ' ' LEU . 1.1 mt -132.86 115.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' OG1' ' A' ' 26' ' ' THR . 5.3 tp -48.76 153.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.53 111.77 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.9 54.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -65.72 178.73 11.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -32.66 5.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -73.86 -15.2 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD2' HG22 ' A' ' 46' ' ' ILE . 1.7 t70 -101.54 -50.77 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.7 mt -54.98 -50.33 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.3 m -40.36 -49.35 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.29 -7.87 69.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mt-10 -89.83 -59.6 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 46' ' ' ILE . 4.2 tp -67.19 129.05 38.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' NE ' ' CE1' ' A' ' 97' ' ' TYR . 1.2 ppt_? -137.2 159.04 43.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.48 ' O ' ' CZ ' ' A' ' 59' ' ' ARG . 11.5 ttt180 -70.51 102.6 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 59' ' ' ARG . . . 135.04 -10.39 4.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.09 148.47 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 65' ' ' LEU . 45.5 ttt180 -97.97 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 95' ' ' ALA . 4.7 mm -68.58 98.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.0 mm? -72.3 -55.93 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -145.44 157.73 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.0 t -127.79 137.78 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 39.78 28.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 78.18 56.83 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -133.18 143.01 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -88.63 109.96 20.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HG13 ' A' ' 70' ' ' VAL . 15.7 mt -121.16 -3.3 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LEU . 8.1 mtp180 -36.99 -35.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.28 49.46 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.43 146.68 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.455 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 61.1 p -64.57 178.62 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' N ' ' HA3' ' A' ' 35' ' ' GLY . 13.3 t-160 -64.61 -54.2 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.51 -40.95 79.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -63.66 -34.72 78.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.71 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.72 -42.97 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.33 -19.48 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -78.62 -17.29 56.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.6 mm? -96.2 -14.31 22.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -23.61 23.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -90.56 -14.59 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -63.51 -140.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.0 -148.43 7.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.76 -51.45 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.89 100.94 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.1 t -111.1 140.91 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.556 HG21 ' CE ' ' A' ' 18' ' ' LYS . 99.3 m -107.05 101.16 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 21' ' ' LEU . 3.6 mp -98.22 113.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.647 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -102.57 100.98 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.5 155.48 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -119.26 128.13 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE1' ' NE ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -59.96 94.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 88.41 52.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.65 18.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.12 -44.86 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.13 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 9.0 t80 -37.29 -36.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' TYR . 2.2 t -38.81 -41.85 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -52.27 -52.03 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 33' ' ' VAL . 56.5 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 156.67 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -141.33 -179.41 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD3' HD11 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -107.5 122.68 47.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.819 HG22 HD21 ' A' ' 21' ' ' LEU . 4.9 mt -126.0 107.92 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 ' HD3' ' A' ' 18' ' ' LYS . 6.6 mt -98.86 106.39 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.958 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 mm? -100.94 136.18 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -95.15 107.43 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.573 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -51.56 110.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.75 -66.08 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 -45.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -121.91 63.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.08 164.76 24.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 21' ' ' LEU . 29.3 mt -63.21 -71.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 150.91 49.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 10.4 p90 -172.55 152.51 2.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 2.9 t-20 -95.03 171.73 8.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 1.6 pt -140.79 153.98 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.8 m -140.06 174.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.05 -166.91 13.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.17 37.17 4.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.77 116.13 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 43.76 38.8 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 63.68 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -93.14 -29.56 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 131.01 -172.23 20.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' ILE . 6.6 mm -131.32 135.76 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 66.6 m-85 -138.66 156.58 47.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 40.1 t -76.49 136.66 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.476 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -101.01 -15.63 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 16.5 t80 -179.96 160.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.529 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -128.47 124.2 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' HA3' ' A' ' 50' ' ' GLY . 10.0 tp -53.04 156.17 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.29 123.4 36.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.73 -0.74 60.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -71.46 -174.02 18.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.96 -36.27 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -69.64 -23.27 63.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -56.55 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' SER . 15.2 mt -47.31 -56.85 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.1 p -38.69 -44.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.96 -16.76 45.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.06 -54.54 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.753 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -70.33 123.4 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 58' ' ' LEU . 2.6 mtt180 -137.85 150.62 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 31.1 ttp180 -66.64 104.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 143.77 -21.84 2.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.17 173.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -124.35 105.63 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' A' ' 95' ' ' ALA . 16.0 mm -62.2 122.82 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 25.6 mt -99.76 -54.41 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 5.1 p -138.15 160.17 40.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 70' ' ' VAL . 3.8 t -123.21 106.67 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 t-20 75.0 -55.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.16 35.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.678 HG13 ' HG ' ' A' ' 72' ' ' LEU . 9.5 p -116.48 143.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.05 103.05 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.6 mt -113.0 14.49 19.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -43.99 -38.49 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -138.96 50.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.53 166.59 10.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.2 p -73.38 173.77 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 32' ' ' ILE . 11.4 t-160 -66.62 -51.34 57.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.17 -37.82 81.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.9 -50.48 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.662 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -60.13 -24.12 64.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.2 -40.27 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.08 63.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -79.92 -19.82 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 HG11 ' A' ' 91' ' ' VAL . 40.3 mt -93.64 -21.58 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -21.78 31.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -12.38 28.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.9 -143.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.486 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -161.82 -144.77 4.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.89 -51.37 40.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.44 93.34 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.659 HG22 ' HB1' ' A' ' 87' ' ' ALA . 19.3 t -103.19 122.43 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.2 m -91.96 101.12 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -98.96 119.72 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ARG . 75.7 t -101.36 100.99 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -120.64 165.95 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -129.49 117.67 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 97.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.03 83.58 45.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.04 18.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.6 -28.78 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.6 mm-40 -87.87 -67.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 76.8 t80 -40.03 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . 13.1 t -38.63 -44.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -52.05 -52.94 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.2 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.689 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 140.34 25.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.8 ptm180 -122.74 136.24 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 112.53 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.2 mt -114.67 112.5 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 92' ' ' THR . 5.7 mt -98.23 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -94.6 136.96 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -103.3 99.41 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -42.15 112.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.15 -42.89 6.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.31 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 26' ' ' THR . 69.5 p -45.83 -31.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 -140.72 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 21' ' ' LEU . 19.3 mt -93.95 -8.96 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 28.25 26.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 2.4 p90 -167.23 144.42 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.33 176.3 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.35 155.3 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 42' ' ' PHE . 1.1 m -143.01 169.72 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.55 177.39 38.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 114.62 35.0 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.03 109.92 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.57 18.41 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.96 66.77 2.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -101.0 -22.83 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.62 171.53 13.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.3 mm -118.63 148.2 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' O ' HG22 ' A' ' 33' ' ' VAL . 33.4 m-85 -152.15 141.72 21.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -59.89 141.93 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.603 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.2 -32.53 10.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 35.6 t80 -164.15 166.78 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -134.33 124.58 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.0 tp -66.9 152.22 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.93 111.18 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.19 -12.93 40.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.87 -177.62 15.22 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -28.47 9.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -71.37 -40.59 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -58.25 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.7 mt -47.01 -53.32 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 14.3 p -39.65 -40.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.04 -6.73 61.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -88.87 -55.23 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -67.46 145.72 54.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' H ' HD23 ' A' ' 58' ' ' LEU . 6.9 mtt180 -149.43 156.63 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 46' ' ' ILE . 2.9 ttm180 -69.62 112.67 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 126.59 -23.4 5.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.24 153.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 43.5 ttt180 -108.92 105.22 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.2 mm -59.82 132.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 16' ' ' PRO . 34.0 mt -111.74 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 31.3 p -147.28 153.95 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.817 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.3 t -128.04 131.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 49.1 21.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 84.27 51.45 3.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.817 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -127.25 146.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -88.76 109.79 20.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.749 ' HG ' HG13 ' A' ' 70' ' ' VAL . 25.3 mt -119.02 -0.88 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' LEU . 3.2 mtp-105 -37.36 -40.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.52 51.43 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -114.98 152.81 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.446 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 14.1 p -76.53 166.6 23.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -52.76 -40.45 63.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ALA . 18.5 tt0 -65.46 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -47.4 -44.13 24.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.09 73.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -81.01 -30.96 34.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . . . -66.46 -25.1 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -75.08 -16.64 60.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.682 HD12 HD11 ' A' ' 28' ' ' LEU . 1.6 mm? -97.01 -29.22 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -78.15 -26.32 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -11.89 43.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.54 -143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.04 -126.05 0.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.54 -50.95 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.27 94.24 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.6 t -107.63 139.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 20' ' ' ILE . 23.1 m -101.71 100.64 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 67' ' ' VAL . 3.8 mp -97.79 111.01 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.29 100.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.559 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -123.98 158.19 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.8 pt20 -126.48 123.38 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.48 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.1 83.75 50.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -41.42 -53.28 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 3.1 mt-10 -67.59 -62.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.5 t80 -41.4 -35.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t -48.62 -29.71 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -62.16 -29.95 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptp85 -95.06 174.83 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 131.25 53.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.3 mt -132.55 136.87 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 20' ' ' ILE . 5.5 mt -120.26 95.48 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 93' ' ' ILE . 1.7 mm? -88.6 136.9 32.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -102.26 102.77 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.556 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -40.75 111.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.6 -60.09 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.31 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -75.12 -47.26 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 -133.4 2.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.5 mm? -93.97 -8.45 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.4 9.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.5 p90 -174.14 151.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -106.2 168.98 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.3 pt -133.48 157.29 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.1 m -139.79 177.6 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.6 -156.34 17.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.91 35.88 6.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.38 117.32 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 42.09 38.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.17 54.62 14.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 1.1 pp20? -80.92 -26.9 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 124.1 153.04 8.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.8 mm -100.38 142.46 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 38.4 m-85 -144.06 158.73 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 28.2 t -78.41 132.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.537 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -95.91 -26.81 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 50.6 t80 -167.41 161.7 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.1 mm -132.49 118.17 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.43 149.47 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.26 113.94 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.58 -8.67 62.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.31 -177.67 13.54 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.85 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -96.38 -56.42 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.4 mt -49.52 -55.27 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 51' ' ' PRO . 75.5 m -40.44 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.88 2.56 71.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mm-40 -95.09 -57.15 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 46' ' ' ILE . 2.6 tp -69.08 129.36 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -143.53 141.51 30.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 13.6 ttp-105 -51.24 119.27 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.4 -18.65 8.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.22 128.89 38.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 15.6 ttt180 -82.3 116.14 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.951 HD13 ' HB2' ' A' ' 95' ' ' ALA . 11.7 mm -72.0 103.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.6 mm? -71.84 -55.53 7.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 m -148.13 163.96 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 93' ' ' ILE . 2.2 t -127.51 138.77 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.23 33.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 74.67 47.96 14.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' VAL . 79.7 t -129.39 110.72 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -53.65 103.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 80' ' ' ALA . 14.8 mt -101.45 2.51 39.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -37.72 -70.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -100.17 41.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -100.14 142.5 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 p -76.59 162.88 27.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.61 -48.95 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -54.21 -40.87 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -66.18 -30.36 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.85 -45.55 18.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.77 -27.47 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.31 -19.29 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.74 -32.32 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -70.86 -18.1 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.67 -21.98 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -61.79 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.553 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -179.01 -146.78 6.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.79 -51.55 68.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.69 109.55 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.8 t -121.24 131.05 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 m -97.85 101.24 12.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.848 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -97.14 115.04 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 57.9 t -102.77 101.69 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.951 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.41 152.73 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.2 pt20 -111.8 127.04 55.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -125.29 82.4 62.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.07 17.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.38 -36.56 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.3 mm-40 -76.65 -68.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' SER . 32.3 t80 -38.73 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 28.2 t -38.74 -42.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -53.36 -53.19 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.865 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.4 Cg_endo -74.99 115.26 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HD11 ' A' ' 19' ' ' ILE . 1.9 ptm180 -91.7 140.93 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.627 ' HD3' HD11 ' A' ' 20' ' ' ILE . 15.2 ttmt -73.59 109.44 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 57' ' ' GLU . 7.5 mt -113.05 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.5 mt -87.33 107.73 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 58' ' ' LEU . 87.0 mt -105.08 141.07 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 30.4 m80 -100.95 102.39 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.653 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.4 mtmt -39.86 111.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.36 -44.69 21.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.06 -60.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.3 p -67.28 -51.75 48.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.1 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 ' CD2' HD22 ' A' ' 84' ' ' LEU . 2.4 mm? -90.33 -9.77 46.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.44 34.36 12.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' A' ' 28' ' ' LEU . 2.2 p90 -161.01 147.34 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.89 173.62 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG13 ' NE2' ' A' ' 77' ' ' HIS . 7.9 pt -143.19 150.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.3 m -136.5 176.8 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 -153.99 16.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 32.2 11.09 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 3.5 mt-10 -124.49 121.29 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 40.88 32.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 56.53 47.22 85.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -74.16 -24.38 59.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 119.86 166.41 13.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.5 mm -106.23 145.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 m-85 -147.33 155.26 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG21 ' CD2' ' A' ' 58' ' ' LEU . 50.6 t -74.27 134.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.54 -29.36 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.7 t80 -169.76 162.88 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -127.17 119.02 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.4 tp -57.31 151.95 15.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.47 111.4 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 109.73 -16.28 31.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.87 -176.16 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.96 -31.67 6.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -72.1 -9.56 58.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -110.91 -54.35 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 84.6 mt -58.33 -53.13 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 20.8 t -46.49 -25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 84.03 -8.25 67.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG23 ' A' ' 19' ' ' ILE . 3.1 mm-40 -97.88 178.11 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER 58.27 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' H ' HD23 ' A' ' 58' ' ' LEU . 8.9 ptt180 -176.18 158.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 ttt-85 -58.86 119.07 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.28 31.53 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 47.2 ttt-85 -66.68 119.76 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 95' ' ' ALA . 3.7 mm -75.8 98.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' A' ' 96' ' ' GLN . 4.0 mm? -70.39 -55.49 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -145.15 161.33 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 72' ' ' LEU . 2.5 t -127.47 108.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 64.43 37.36 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 38.84 50.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.8 116.38 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.5 115.11 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 67' ' ' VAL . 22.4 mt -128.56 15.23 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.4 mtp180 -39.24 -55.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -119.08 63.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.04 148.33 41.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -67.2 149.23 50.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.423 ' NE2' HG13 ' A' ' 32' ' ' ILE . 23.0 t-160 -42.91 -42.28 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 10.4 tt0 -63.02 -53.07 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -47.89 -49.77 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.16 63.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.68 -47.43 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -29.45 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.02 -15.31 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 28' ' ' LEU . 41.2 mt -93.03 -34.61 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -24.03 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -13.16 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.5 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.29 -150.45 7.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.08 -51.72 62.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.17 95.33 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.637 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.2 t -110.11 119.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -87.45 100.22 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 91' ' ' VAL . 5.0 mp -94.54 106.79 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -98.81 101.39 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.77 154.45 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HG2' HD21 ' A' ' 65' ' ' LEU . 7.1 pt20 -124.62 128.03 48.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.45 156.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.56 88.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -48.42 -36.19 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.66 -69.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -41.62 -36.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.6 p -47.42 -32.09 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -59.27 -25.74 64.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.599 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 137.57 21.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.3 ptm180 -113.34 142.52 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.727 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -76.09 107.21 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.5 mt -104.44 89.04 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.725 HG13 HG23 ' A' ' 92' ' ' THR . 3.6 mt -79.74 103.43 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 58' ' ' LEU . 78.8 mt -100.9 147.01 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' LYS . 57.3 m170 -114.45 95.85 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 5.4 mttm -39.33 119.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.49 -38.94 7.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m 172.0 -64.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 p -55.51 -32.83 63.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.18 -141.27 8.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 84' ' ' LEU . 67.3 mt -94.3 -12.01 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 31.5 53.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -163.62 142.33 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.0 176.59 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 2.6 pt -139.94 163.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -148.48 177.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.91 -162.83 13.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.35 29.8 8.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -120.81 117.87 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 50.12 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.83 58.62 13.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -88.5 -24.48 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.34 171.11 13.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.28 143.97 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 101' ' ' GLU . 60.8 m-85 -144.21 156.46 44.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.744 HG21 ' CD2' ' A' ' 58' ' ' LEU . 55.7 t -74.45 133.72 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.555 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -94.23 -33.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 73.7 t80 -164.53 165.02 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -135.5 120.27 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -61.84 139.37 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -85.5 108.45 17.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.02 -9.95 31.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.4 -172.68 15.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -75.01 -32.99 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.64 -39.77 76.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 15.1 mt -45.76 -57.76 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 86.4 p -44.41 -43.69 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.81 -9.19 63.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 19' ' ' ILE . 18.7 mm-40 -73.39 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.65 137.96 54.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -141.83 144.19 33.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 116.7 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.66 8.67 12.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 140.12 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 9.9 ttt180 -91.52 111.77 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.033 HD13 ' HB2' ' A' ' 95' ' ' ALA . 13.1 mm -67.5 104.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -74.01 -56.19 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.3 p -143.73 158.88 43.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.761 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.01 137.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER 39.43 29.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 78.04 57.27 3.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -134.61 144.87 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -87.75 110.31 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.739 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.6 mt -122.65 -1.19 9.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 32.7 mtp85 -37.22 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' LEU . 21.1 m-80 -137.96 57.11 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.99 160.53 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.4 p -87.13 158.41 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t-160 -41.86 -50.94 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.87 -56.51 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -50.46 -48.95 56.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.36 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.57 32.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.8 -18.98 9.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HA ' ' CD ' ' A' ' 86' ' ' ARG . . . -80.31 -27.79 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD11 ' A' ' 28' ' ' LEU . 2.0 mm? -87.23 -14.46 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -26.15 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -89.96 -8.26 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.681 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -75.87 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -169.55 -138.65 2.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.4 -52.5 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.09 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.6 t -108.12 133.29 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.725 HG23 HG13 ' A' ' 20' ' ' ILE . 99.9 m -100.16 99.99 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.803 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -97.17 108.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' HG3' ' A' ' 18' ' ' LYS . 12.2 t -96.5 101.56 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 1.033 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.46 150.4 48.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.475 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 1.6 pt20 -110.19 130.83 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.44 95.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -129.56 85.11 59.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.54 18.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.574 1.828 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.76 -44.69 96.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -68.76 -61.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 24.4 t80 -36.43 -35.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 t -39.24 -35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -59.06 -50.57 73.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 33' ' ' VAL . 39.7 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.47 ' C ' ' HG2' ' A' ' 96' ' ' GLN . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.942 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -78.87 130.43 35.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HG2' HG22 ' A' ' 92' ' ' THR . 5.8 tttt -73.13 98.4 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.927 HD13 HD13 ' A' ' 58' ' ' LEU . 3.5 mt -97.58 141.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.605 HG13 HG23 ' A' ' 92' ' ' THR . 6.0 mt -124.98 92.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.784 ' CD2' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -86.49 137.79 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 89' ' ' GLN . 24.9 m-70 -103.69 96.42 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.608 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.35 110.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.14 -63.45 2.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.93 -50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -66.47 -47.36 73.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.22 -143.24 6.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 21' ' ' LEU . 16.3 mt -93.85 -9.25 37.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 77.59 42.45 17.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.2 p90 -177.9 149.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.24 173.17 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.449 HG23 ' HE1' ' A' ' 30' ' ' PHE . 4.6 pt -131.86 159.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.6 m -143.31 177.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.02 -161.62 28.1 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.93 15.42 39.36 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.33 129.38 56.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 46.16 34.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.39 53.88 7.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.73 -33.08 23.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.63 -173.51 22.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.9 mm -132.82 140.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 33' ' ' VAL . 34.0 m-85 -147.09 151.95 37.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.0 t -68.46 135.72 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.19 -30.02 14.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 55.9 t80 -166.11 165.2 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.61 117.2 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.4 tp -55.37 152.65 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.49 109.65 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.67 -8.05 46.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -177.87 14.14 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 -34.68 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 58' ' ' LEU . . . -70.83 -21.7 62.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -96.34 -53.07 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' SER . 26.7 mt -54.39 -54.56 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' LEU . 30.8 t -37.06 -39.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.48 9.74 81.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.91 -69.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.927 HD13 HD13 ' A' ' 19' ' ' ILE . 5.9 tp -57.88 132.35 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -143.93 145.72 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -51.91 102.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.03 44.86 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 0.5 OUTLIER -122.7 135.55 54.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -84.85 116.33 23.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 1.8 mm -75.84 119.36 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.056 HD21 ' OE1' ' A' ' 96' ' ' GLN . 4.3 mm? -92.2 -56.69 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 p -142.77 160.97 39.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.93 114.33 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.33 30.63 19.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.02 39.52 16.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.89 117.7 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.56 120.39 9.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -139.0 14.7 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -40.17 -54.58 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -119.67 62.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.55 151.43 37.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.9 p -65.0 154.7 36.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -46.67 -45.17 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ALA . 8.1 tt0 -63.23 -52.08 63.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.54 -25.82 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -88.81 -45.93 9.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.15 -25.89 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.12 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 28' ' ' LEU . 1.4 mm? -90.56 -14.14 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -22.67 20.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -9.61 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.83 -143.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.51 -124.91 0.75 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.2 mt-30 -89.26 -53.17 4.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.77 94.75 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.796 HG22 ' HB1' ' A' ' 87' ' ' ALA . 15.1 t -109.31 132.03 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.605 HG23 HG13 ' A' ' 20' ' ' ILE . 6.6 m -95.14 100.77 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.784 HD13 ' CD2' ' A' ' 21' ' ' LEU . 5.2 mp -95.86 111.46 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 16' ' ' PRO . 5.0 t -103.22 101.38 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 64' ' ' ILE . . . -134.36 151.56 51.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 1.056 ' OE1' HD21 ' A' ' 65' ' ' LEU . 17.1 mt-30 -90.29 155.79 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.45 75.3 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -119.42 90.06 41.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.46 20.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.53 -38.23 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.47 -55.21 5.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.7 t80 -42.74 -35.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.9 p -47.69 -31.34 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -59.09 -24.0 62.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 15.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HA ' ' HG2' ' A' ' 96' ' ' GLN . 18.5 Cg_endo -74.98 115.83 4.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.643 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.7 ptp85 -89.95 173.33 8.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' HD11 ' A' ' 20' ' ' ILE . 1.1 ttmp? -110.68 122.52 48.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.947 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.1 mt -120.48 102.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.7 mt -93.1 100.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.883 HD11 HD23 ' A' ' 58' ' ' LEU . 28.8 mt -99.09 131.91 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -95.76 105.78 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.627 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 87' ' ' ALA . 6.2 mtmt -42.27 110.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.56 -61.44 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -71.26 -51.44 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.73 -136.23 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.878 HD23 HD12 ' A' ' 84' ' ' LEU . 2.6 mm? -93.68 -10.2 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 78.54 45.49 9.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.0 p90 -169.21 147.65 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.38 174.63 5.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 6.1 pt -138.12 158.56 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 5.0 m -143.12 176.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.02 -161.14 15.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.14 29.95 7.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -123.54 125.98 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 42.02 31.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.16 56.24 10.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.3 -35.44 25.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.73 160.91 8.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 33' ' ' VAL . 7.7 mm -100.65 146.06 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 42.6 m-85 -143.35 162.33 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 58' ' ' LEU . 47.0 t -80.41 133.31 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.507 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.92 -23.04 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 74.2 t80 -177.78 167.44 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.2 mm -133.78 120.42 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -55.4 138.3 46.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -78.28 118.33 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.26 -11.1 72.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -63.98 -179.19 5.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.0 -29.37 8.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -71.75 -32.5 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 30.6 t0 -84.07 -58.33 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 22.4 mt -46.49 -50.35 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.1 p -48.94 -44.71 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.91 -18.73 37.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' CB ' HG12 ' A' ' 19' ' ' ILE . 6.8 mm-40 -72.66 -53.09 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.947 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -79.11 122.71 26.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.469 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -142.85 148.47 37.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 22.3 ttp-105 -54.31 125.76 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.525 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 121.68 -23.3 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.12 161.1 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -117.05 95.75 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 95' ' ' ALA . 24.6 mm -52.54 127.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 96' ' ' GLN . 23.0 mt -112.89 -47.58 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -148.24 150.67 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 t -125.0 114.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 62.6 44.28 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.39 46.15 93.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 72' ' ' LEU . 82.1 t -126.03 118.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.5 115.2 5.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' ALA . 13.0 mt -137.28 18.56 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.525 ' HG2' HD22 ' A' ' 65' ' ' LEU . 4.8 mtp85 -40.83 -69.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -103.99 52.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 79' ' ' GLN . . . -104.5 147.63 27.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -64.64 160.87 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -49.51 -37.46 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' ALA . 14.1 tt0 -71.58 -53.65 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.413 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . 62.1 mt-30 -48.65 -36.01 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -74.78 -29.13 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -80.6 -34.56 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.61 -20.75 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -82.81 -48.31 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.878 HD12 HD23 ' A' ' 28' ' ' LEU . 2.0 mm? -57.62 -17.6 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -45.23 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.04 -7.22 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 91' ' ' VAL . . . -67.5 111.38 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.471 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -72.95 -161.59 6.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -55.58 -52.13 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.76 97.96 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.707 ' CG1' ' HB1' ' A' ' 87' ' ' ALA . 2.5 t -105.26 134.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -101.69 101.95 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.06 117.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.95 102.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -130.14 156.75 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.539 ' HG3' HD11 ' A' ' 65' ' ' LEU . 4.0 mt-30 -104.8 108.61 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -52.47 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' GLN . 5.9 mmt180 -131.93 89.44 38.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.7 19.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.57 -37.29 82.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.8 mm-40 -74.36 -61.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.9 t80 -39.29 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 29.5 t -38.19 -44.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -51.04 -53.89 29.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 121.67 6.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.738 ' CD ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -93.52 176.03 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 125.95 51.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.738 HD11 ' CD ' ' A' ' 17' ' ' ARG . 5.1 mt -131.52 125.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.49 103.27 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 HD13 ' A' ' 93' ' ' ILE . 1.6 mm? -99.0 136.17 39.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.7 m80 -99.83 101.7 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 18.2 mtmt -40.08 113.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.8 -71.61 1.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 68.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 p 50.78 49.14 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.75 159.93 21.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -83.78 -9.8 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.8 45.43 6.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 2.3 p90 -169.34 146.08 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.51 172.81 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -139.85 151.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.549 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.2 m -139.38 179.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' HD13 ' A' ' 41' ' ' ILE . . . 56.52 165.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' HIS . . . 131.15 65.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.2 mt-10 -134.87 108.31 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 16.1 m-20 68.75 -65.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -168.54 28.23 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 42' ' ' PHE . . . 155.53 124.2 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 10.4 mm -75.72 157.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' ARG . 98.3 m-85 -164.27 149.06 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 58' ' ' LEU . 39.5 t -72.97 127.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -90.61 -17.14 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 47' ' ' LEU . 27.3 t80 178.24 163.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -130.98 110.13 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 5.8 tp -40.4 154.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.93 116.99 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.65 -8.01 77.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.85 179.64 10.33 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.94 -34.19 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.05 -58.21 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.83 -50.17 18.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -45.16 -45.64 11.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.01 -27.63 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 16.0 mt-10 -66.54 -56.48 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.2 tp -67.88 123.12 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' N ' HD12 ' A' ' 58' ' ' LEU . 6.6 mtt180 -139.96 142.33 36.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 21.3 ttp-105 -49.24 129.09 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.4 -26.24 9.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -66.17 126.55 29.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 4.3 ttp85 -81.73 128.36 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 95' ' ' ALA . 35.4 mm -73.08 87.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' PRO . 2.3 mm? -63.65 -55.54 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 21.0 p -144.51 151.78 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.01 141.27 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.512 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.1 OUTLIER 39.57 29.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 76.54 53.76 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -129.14 146.53 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.76 111.64 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.719 ' HG ' HG13 ' A' ' 70' ' ' VAL . 18.3 mt -123.68 3.61 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -38.66 -60.98 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -108.01 41.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -98.92 166.37 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 32.3 p -83.58 -164.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t-160 -82.04 -45.86 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.579 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.65 -38.34 86.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -41.8 88.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -68.11 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.24 -45.54 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.38 -17.48 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.04 47.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.7 mm? -96.49 -16.7 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -16.51 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -15.13 25.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.26 -144.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.598 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.04 -144.96 5.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.55 -51.86 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 106.52 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 87' ' ' ALA . 3.1 t -120.99 125.96 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -94.82 100.23 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.78 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -95.44 113.87 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 17' ' ' ARG . 39.8 t -103.11 101.21 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -122.89 161.61 23.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.525 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 pt20 -118.54 113.17 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.83 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -137.69 85.81 19.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.5 Cg_endo -74.98 -33.74 4.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.0 -34.05 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -80.27 -60.82 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 105' ' ' PHE . 78.4 t80 -57.78 -17.02 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' PRO . 7.5 t -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -55.35 -45.98 76.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 102' ' ' TYR . 24.8 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.831 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.59 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptp85 -83.08 175.11 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -101.91 128.29 48.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD ' ' A' ' 17' ' ' ARG . 6.0 mt -133.35 111.86 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' ILE . 3.2 mt -100.36 99.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 HD23 ' A' ' 58' ' ' LEU . 71.1 mt -95.4 139.2 32.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 12.2 m170 -103.47 102.84 12.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.8 mtmt -39.19 110.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.86 -57.4 5.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 -57.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.9 p -72.64 -49.91 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.78 -145.7 5.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 mm? -86.91 -9.04 56.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 82.76 42.48 8.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.3 p90 -168.67 148.67 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.18 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.1 152.45 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.0 OUTLIER -139.2 162.77 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.67 -148.24 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.76 38.55 11.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -132.82 120.42 21.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 t0 46.33 27.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.63 71.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.37 -32.9 66.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.17 160.5 9.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.7 mm -105.08 139.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 13.0 m-85 -138.92 159.07 43.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 26.7 t -79.53 136.61 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.81 -37.53 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 76.2 t80 -157.54 167.55 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -134.59 118.56 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -53.84 138.55 35.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.45 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.33 -13.31 60.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.26 -177.32 9.55 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.471 ' C ' HD22 ' A' ' 21' ' ' LEU . 18.0 Cg_endo -75.04 -32.33 5.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.06 -28.82 66.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 53' ' ' ASP . 27.4 t0 -89.25 -58.16 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 19.8 mt -47.91 -55.26 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -39.56 -50.11 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.66 -2.02 79.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.18 -46.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.932 HD23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -83.31 124.19 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' NH2' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -138.92 161.38 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 30.6 ttp180 -66.41 82.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' ' NH2' ' A' ' 59' ' ' ARG . . . 149.32 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.38 111.22 11.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' HB1' ' A' ' 95' ' ' ALA . 65.0 ttt180 -61.62 124.81 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.637 HD13 ' HB2' ' A' ' 95' ' ' ALA . 14.7 mm -80.01 99.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' HG2' ' A' ' 96' ' ' GLN . 3.9 mm? -74.89 -55.45 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.4 p -146.14 167.12 24.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.047 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -130.47 131.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' VAL . 4.1 t-20 39.12 29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 86.03 47.91 4.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 67' ' ' VAL . 74.1 t -122.18 119.88 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -70.89 105.65 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 67' ' ' VAL . 96.0 mt -121.56 10.94 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.3 mtp180 -38.23 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 4.1 m120 -147.48 69.17 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -122.57 173.91 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.4 p -90.05 166.87 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -55.69 -48.64 74.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -62.36 -53.04 60.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -49.75 -31.33 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -76.66 -41.3 46.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.64 -43.29 76.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.79 -27.52 63.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.632 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -73.45 -30.54 63.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.45 HD11 ' HZ ' ' A' ' 30' ' ' PHE . 50.3 mt -85.36 -22.8 28.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.52 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -8.62 52.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.686 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -65.9 -135.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.66 -144.8 5.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.0 mp0 -70.6 -52.67 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.98 103.06 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.686 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 3.5 t -117.36 136.71 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.0 m -104.14 101.09 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.61 118.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 16' ' ' PRO . 19.9 t -104.77 101.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.38 156.94 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.599 ' HG2' HD21 ' A' ' 65' ' ' LEU . 2.1 pt20 -123.75 131.63 53.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -50.73 156.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.42 92.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -45.8 -60.0 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.0 -70.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 20.0 t80 -41.82 -35.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -23.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -32.02 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' TYR . 32.5 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 129.54 12.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.38 131.37 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.85 108.43 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.5 mt -107.9 127.65 63.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.04 108.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.901 HD11 HD23 ' A' ' 58' ' ' LEU . 22.2 mt -105.25 144.88 31.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 33.8 m170 -109.37 97.91 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.0 mtmt -38.6 113.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.39 -71.9 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.438 ' C ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -102.42 -69.35 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 25' ' ' SER . 23.1 p -151.03 40.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.09 168.06 41.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.2 mm? -88.48 -9.83 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 80.22 45.95 7.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.8 p90 -172.94 147.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 1.3 t-20 -102.52 172.24 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' C ' ' CG1' ' A' ' 33' ' ' VAL . 1.3 pt -142.57 167.55 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -149.55 173.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.56 -163.83 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.26 33.92 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' GLY . 3.2 mm-40 -127.61 120.64 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 45.0 27.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.11 56.41 19.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.36 -32.85 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.14 152.03 6.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 20.6 mm -93.62 147.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 31.6 m-85 -147.95 150.33 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' OD1' ' A' ' 62' ' ' ASP . 11.4 t -71.04 130.81 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -94.1 -16.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 63.4 t80 177.2 166.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.687 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.6 mm -132.05 121.62 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -56.75 138.79 52.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -80.35 118.99 22.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.03 63.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -64.66 -179.0 6.6 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -31.37 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -71.99 -17.83 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -98.37 -58.66 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 24.8 mt -49.05 -50.85 34.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.2 p -41.5 -47.06 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.79 -17.02 58.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.97 -66.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.18 124.7 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -143.14 143.61 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.486 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.8 ttm180 -50.07 131.59 23.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 100.8 25.43 8.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.853 ' OD1' HG23 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -93.76 163.62 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 62.1 ttt180 -114.33 87.08 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.892 HD13 ' HB2' ' A' ' 95' ' ' ALA . 17.8 mm -51.76 132.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.58 HD11 ' OE1' ' A' ' 96' ' ' GLN . 33.1 mt -113.53 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.5 p -155.21 166.14 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -129.8 133.78 64.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.5 t-20 38.8 30.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 85.39 45.64 5.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' VAL . 88.1 t -118.15 112.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -67.82 107.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 8.0 mt -131.1 20.36 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -42.58 -31.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.9 72.97 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.48 179.31 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.1 p -92.8 157.93 16.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 4.7 t-160 -48.79 -49.35 39.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.9 -54.71 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.35 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.02 -44.04 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.76 -31.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.722 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -66.79 -58.67 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.3 mm? -56.51 -18.01 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 -39.1 20.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -82.67 -8.39 59.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -64.5 -136.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -178.57 -143.41 5.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 6.1 tt0 -71.64 -52.72 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 97.71 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.679 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 4.7 t -112.06 132.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ASN . 54.7 m -101.12 99.6 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 21' ' ' LEU . 5.4 mp -91.82 121.62 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.96 100.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.892 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -133.27 152.03 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.58 ' OE1' HD11 ' A' ' 65' ' ' LEU . 17.8 pt20 -116.5 124.95 51.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.57 150.67 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.84 86.5 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.88 6.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.17 -54.57 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 4.0 mm-40 -64.65 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -43.23 -33.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -50.84 -30.08 13.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -61.19 -27.6 68.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.03 133.28 16.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -110.09 141.51 42.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttpt -73.75 108.2 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.702 HG22 ' HG ' ' A' ' 21' ' ' LEU . 3.3 mt -104.47 90.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.538 HG13 HG23 ' A' ' 92' ' ' THR . 3.3 mt -81.29 98.38 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.745 HD11 HD12 ' A' ' 58' ' ' LEU . 63.9 mt -98.92 142.97 29.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' LYS . 97.9 m-70 -109.32 100.57 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' HIS . 10.0 mtmt -38.17 114.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.98 -72.03 0.7 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -56.43 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -158.1 25.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -151.28 161.36 29.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.764 ' CD1' HD12 ' A' ' 84' ' ' LEU . 77.4 mt -93.29 -9.35 39.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 79.04 42.9 11.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CD2' HD13 ' A' ' 58' ' ' LEU . 1.2 p90 -177.54 146.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.72 176.99 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.48 159.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.5 m -139.92 177.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 -171.83 25.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.5 6.89 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -118.12 117.7 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 55.75 39.54 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.32 55.86 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -86.97 -31.48 20.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.82 -168.85 22.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.6 mm -131.13 149.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 62.2 m-85 -151.08 148.75 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' ' 58' ' ' LEU . 47.7 t -64.17 139.16 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -103.1 -38.8 7.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.7 t80 -158.23 165.34 35.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.486 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -135.65 121.57 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -63.79 151.31 42.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.99 108.98 21.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.76 -10.22 32.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.19 -175.26 21.0 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.99 -31.97 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.06 -33.69 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -87.44 -57.81 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.8 mt -46.23 -58.58 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -46.16 -43.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.9 24.98 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.6 mm-40 -106.21 -48.85 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.745 HD12 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.5 138.38 35.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.89 150.13 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.07 113.22 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.22 5.31 9.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.28 127.68 37.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 20.3 ttt180 -79.58 118.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.969 HD13 ' HB2' ' A' ' 95' ' ' ALA . 8.3 mm -73.46 106.76 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.5 mm? -76.71 -55.42 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 12.8 p -146.65 157.44 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.1 t -128.04 138.22 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.5 t-20 39.64 29.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 77.78 55.84 4.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -132.17 144.46 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -88.69 109.96 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.751 ' HG ' HG13 ' A' ' 70' ' ' VAL . 10.8 mt -123.62 -0.21 8.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtp180 -37.12 -37.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -136.41 49.33 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -110.58 162.25 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 45.6 p -80.95 164.85 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.08 -39.16 66.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.75 -56.0 16.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -54.1 -39.59 66.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 72' ' ' LEU . . . -68.67 -28.68 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -80.48 -45.69 17.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.98 -24.51 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -74.69 -22.19 58.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.764 HD12 ' CD1' ' A' ' 28' ' ' LEU . 1.7 mm? -95.82 -23.84 16.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -25.27 24.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 -8.0 49.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.69 -143.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -165.17 -154.16 7.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.5 mt-30 -59.04 -51.92 67.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 99.17 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.606 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.6 t -108.66 137.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.538 HG23 HG13 ' A' ' 20' ' ' ILE . 52.6 m -104.64 100.57 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.88 109.81 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 18' ' ' LYS . 41.6 t -97.13 100.93 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.969 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.2 152.25 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.487 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -111.26 130.84 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.66 97.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.87 82.6 49.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.46 17.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.96 -44.82 95.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.6 mm-40 -71.85 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 74.8 t80 -42.78 -33.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 t -50.75 -27.59 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.36 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 29.7 m-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.04 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -100.78 155.32 17.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -87.0 103.81 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.0 mt -105.05 115.0 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.813 HG13 HG23 ' A' ' 92' ' ' THR . 5.0 mt -102.15 102.22 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.986 HD21 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -94.94 136.55 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -101.9 103.5 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 3.9 mttm -44.79 113.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 -40.82 10.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.75 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -74.85 -46.24 37.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 -137.29 4.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mm? -92.46 -11.98 33.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.22 35.43 23.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.5 p90 -161.89 143.56 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -95.37 175.6 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pt -144.09 153.27 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 105' ' ' PHE . 1.7 m -144.08 160.65 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.97 -167.05 12.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.17 42.6 2.03 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.01 123.58 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.81 19.13 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.24 49.27 77.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -81.82 -19.17 41.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.21 18.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.7 mm -108.8 161.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 71.5 m-85 -157.33 146.57 20.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.765 HG21 HD21 ' A' ' 58' ' ' LEU . 53.3 t -68.51 134.63 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.463 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.31 -32.41 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 49.1 t80 -165.66 167.32 17.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -135.3 121.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.5 tp -61.24 151.26 32.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.88 110.51 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 110.16 -13.89 31.15 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -69.27 -174.54 11.02 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.99 -34.3 3.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -70.79 -7.9 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.0 -52.18 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 82.6 mt -60.04 -52.56 64.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 87.6 p -38.33 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . 91.62 4.19 68.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.4 mm-40 -121.86 -172.55 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER 61.13 135.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' GLY . 13.9 mtt180 -146.69 146.55 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -58.15 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . 139.75 43.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -123.41 126.59 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 12.8 ttt180 -75.01 113.15 11.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.98 HD13 ' HB2' ' A' ' 95' ' ' ALA . 30.8 mm -68.17 112.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.2 mm? -80.65 -50.96 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 26.9 p -155.69 169.25 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.917 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -128.85 123.75 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 48.89 22.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 92.93 42.97 4.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 67' ' ' VAL . 57.8 t -117.34 115.35 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -67.3 107.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD12 HG12 ' A' ' 67' ' ' VAL . 75.8 mt -120.45 5.14 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' LEU . 25.7 mtp180 -37.96 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.4 m-20 -140.13 67.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.67 156.68 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -77.62 172.47 13.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -56.55 -56.21 24.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ALA . 3.5 tt0 -50.15 -58.6 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -47.3 -39.99 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.55 -35.61 79.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -75.71 -53.06 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.89 -22.78 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.869 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -74.64 -32.57 62.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.9 mm? -83.34 -15.99 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -25.29 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.74 -9.16 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.689 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -72.43 -140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.21 -131.55 1.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -83.03 -52.68 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 95.1 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.689 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 5.3 t -113.15 135.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.813 HG23 HG13 ' A' ' 20' ' ' ILE . 26.1 m -103.39 99.79 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 HD23 ' A' ' 21' ' ' LEU . 4.9 mp -93.65 108.73 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 16' ' ' PRO . 14.8 t -93.87 101.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.98 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -128.17 147.9 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -111.79 127.43 55.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.79 84.41 63.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.09 9.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.64 -35.32 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -84.83 -49.07 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.8 t80 -56.26 -16.88 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 -50.8 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -45.87 -54.3 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 33' ' ' VAL . 34.3 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.4 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.07 156.83 42.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.59 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -143.0 -179.3 6.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HG21 ' A' ' 92' ' ' THR . 10.2 ttmt -107.31 118.89 37.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 21' ' ' LEU . 8.2 mt -121.72 108.23 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.91 HG13 HG23 ' A' ' 92' ' ' THR . 1.7 mt -90.86 101.6 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.841 HD21 HD12 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.64 135.94 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' LYS . 27.2 m-70 -109.54 93.39 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.3 mtmt -37.14 109.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.59 -70.91 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.47 75.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p 46.3 29.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -155.95 151.68 23.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 27.4 mt -84.01 -9.21 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.28 30.49 30.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.7 p90 -167.63 143.7 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 1.1 t-20 -95.81 176.25 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.6 pt -136.9 154.25 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -141.36 177.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.44 -165.98 13.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.97 27.37 5.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.79 119.03 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 41.11 32.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 55.98 51.71 53.7 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -10.07 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.23 151.05 21.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -93.84 135.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 m-85 -133.46 166.97 21.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.59 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 39.8 t -85.12 127.37 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -84.73 -34.33 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 64.3 t80 -163.54 166.6 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -133.9 126.34 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -69.47 139.41 53.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -87.35 106.56 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.92 -12.54 17.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -75.75 -173.09 33.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.95 -34.79 3.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.68 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -68.33 -16.46 63.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.92 -53.95 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 39.5 mt -54.14 -53.78 48.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 93.7 p -38.02 -33.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 71.14 30.76 67.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 1.8 mm-40 -127.6 -64.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -56.11 146.78 21.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 10.2 mtt85 -145.77 152.19 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.2 ttp-105 -71.79 95.83 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 147.22 -23.24 1.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 160.31 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -112.64 112.07 23.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 95' ' ' ALA . 20.9 mm -61.51 134.41 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.3 mt -112.1 -54.69 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -135.6 159.58 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.902 HG11 ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -119.86 102.84 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.34 -39.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 67' ' ' VAL . . . 179.64 -27.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.502 HG22 ' H ' ' A' ' 67' ' ' VAL . 4.4 m -53.08 -170.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.7 t30 -130.72 116.59 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 ' HB ' ' A' ' 67' ' ' VAL . 10.0 mt -128.9 40.33 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -68.19 -33.16 73.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 4.5 m-20 -146.06 25.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.72 161.65 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -80.8 153.35 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -43.26 -47.35 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.43 -56.56 17.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -49.02 -47.6 44.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' HD22 ' A' ' 84' ' ' LEU . . . -62.12 -35.24 78.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.66 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.45 -19.47 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.902 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -81.94 -29.38 32.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 80' ' ' ALA . 1.6 mm? -82.76 -18.96 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -28.54 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.462 ' NH2' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -93.85 -7.58 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB1' HG21 ' A' ' 91' ' ' VAL . . . -80.11 117.61 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.24 -133.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 5.7 mt-30 -89.83 -52.74 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.21 96.47 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 1.031 HG21 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -114.33 136.25 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.91 HG23 HG13 ' A' ' 20' ' ' ILE . 3.1 m -94.19 100.67 12.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -91.94 113.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 17' ' ' ARG . 84.8 t -99.65 101.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -121.62 164.44 17.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.6 pt20 -127.32 120.95 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -53.66 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -128.45 82.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.2 Cg_endo -74.98 -38.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -49.68 -22.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.62 -43.72 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 71.8 t80 -70.74 -20.94 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -40.31 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.64 -54.01 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -168.9 167.29 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 169.85 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.36 160.26 28.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.21 171.24 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 165.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.9 135.0 7.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -76.57 148.84 80.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.71 29.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.82 -106.22 3.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -154.55 -117.69 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 40.32 83.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.98 59.66 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.26 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 mt-10 -55.45 173.85 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.99 141.49 26.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -131.3 175.24 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' HG22 ' A' ' 94' ' ' VAL . 2.5 mttt -100.49 137.59 38.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.645 HG21 ' HB2' ' A' ' 58' ' ' LEU . 5.4 mt -136.21 89.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 92' ' ' THR . 2.9 mt -82.06 106.25 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 58' ' ' LEU . 35.2 mt -105.23 135.41 46.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -95.76 104.83 16.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -42.78 111.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 -43.77 8.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.2 p 177.18 -64.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -63.63 -35.97 82.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.31 -141.45 7.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -91.82 -9.94 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 84.58 38.5 9.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.0 p90 -164.27 144.92 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.16 175.78 6.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 pt -143.7 153.12 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.4 m -139.11 177.2 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.11 -165.41 17.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.06 21.17 8.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 38' ' ' GLY . 5.9 mt-10 -113.66 122.28 46.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 40.94 32.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.4 49.0 58.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -21.01 60.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.49 146.45 8.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 5.5 mm -86.79 154.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 33' ' ' VAL . 60.5 m-85 -156.36 142.01 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 58' ' ' LEU . 68.3 t -64.07 136.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.495 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.0 -32.88 11.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 48.8 t80 -162.84 161.8 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.817 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -132.63 117.83 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.2 tp -54.27 152.87 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.19 110.27 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.98 -10.88 40.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.97 -177.87 12.84 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -29.57 8.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.64 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.94 -56.28 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 25.6 mt -50.75 -56.25 12.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 92.1 p -40.76 -30.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 66.44 40.19 94.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' ILE . 17.3 mm-40 -130.09 -65.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.817 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -62.59 137.03 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -140.2 150.56 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.52 123.95 20.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.07 -18.16 14.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.79 162.76 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 51.1 ttt180 -116.32 104.5 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 4.7 mm -60.3 130.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 16' ' ' PRO . 40.7 mt -108.51 -53.32 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.4 p -145.12 159.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.4 t -126.71 108.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.2 t-20 79.47 -56.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.32 38.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 66' ' ' SER . 99.4 t -121.35 129.69 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.74 99.55 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.52 14.58 30.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -43.47 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.88 57.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.33 153.09 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -71.34 172.92 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -58.64 -54.42 47.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.5 tt0 -51.85 -56.48 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -48.01 -50.0 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.84 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.97 -44.71 9.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -27.87 53.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.1 -17.78 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 28' ' ' LEU . 46.7 mt -96.2 -24.77 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -82.43 -22.78 35.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.97 -11.06 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.786 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.84 -142.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.25 -132.68 1.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.4 -52.16 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.32 92.47 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.786 HG22 ' HB1' ' A' ' 87' ' ' ALA . 21.2 t -100.43 127.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.437 HG23 HG13 ' A' ' 20' ' ' ILE . 87.4 m -94.87 101.77 13.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -95.57 105.74 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 18' ' ' LYS . 96.8 t -91.8 101.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.18 161.47 26.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 5.3 pt20 -128.05 119.08 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.13 95.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 84.31 58.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.42 13.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.59 -35.66 72.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' SER . 3.5 mm-40 -81.46 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 106' ' ' GLU . 77.7 t80 -43.07 -25.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' GLU . 28.0 t -38.78 -50.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.53 -54.26 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -63.5 -35.11 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 2.6 mm-40 -55.1 -50.44 69.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -57.84 10.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t 63.48 137.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.82 -151.68 26.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.14 15.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.422 1.749 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.2 p -179.04 79.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 m -84.55 93.3 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -179.55 98.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -144.14 155.66 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.78 144.45 5.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.5 -60.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.49 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.88 133.8 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -149.84 116.17 3.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.764 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.01 13.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.72 142.66 8.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.4 -144.97 6.08 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -115.0 33.57 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 69.75 76.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.92 -46.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 -69.31 173.17 4.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 144.53 30.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.12 137.91 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.86 110.52 10.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 21' ' ' LEU . 7.0 mt -113.27 120.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 HG23 ' A' ' 92' ' ' THR . 4.3 mt -112.28 104.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.703 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.2 mm? -95.19 142.41 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 35.4 m80 -102.87 99.7 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.5 mtmt -40.08 112.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.18 -55.36 5.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.19 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -61.68 -43.5 98.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.58 -140.33 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 21' ' ' LEU . 12.7 mt -93.9 -8.95 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . 85.95 26.07 35.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.8 p90 -166.09 145.95 6.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.772 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.45 174.96 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.32 159.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -146.9 172.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.6 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.11 39.25 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' GLY . 1.4 mm-40 -131.26 123.72 29.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 45.94 27.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 54.2 57.92 14.95 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -85.83 -31.61 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.3 164.95 10.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ILE . 5.5 mm -108.43 142.19 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 47.1 m-85 -140.79 167.62 21.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 41.9 t -85.66 137.46 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.546 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.68 -31.42 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 54.4 t80 -167.15 168.09 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.84 116.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 48' ' ' ALA . 3.3 tm? -58.84 144.31 44.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.728 ' N ' HD13 ' A' ' 47' ' ' LEU . . . -91.29 110.17 21.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.59 -13.22 27.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.93 -175.66 24.94 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.2 Cg_endo -75.0 -33.41 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -67.31 -30.16 69.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -91.21 -56.6 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 20.4 mt -49.01 -57.61 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 67.0 m -43.89 -30.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.37 14.07 71.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.0 -75.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.55 146.5 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' H ' HD23 ' A' ' 58' ' ' LEU . 4.0 mtt85 -141.12 164.0 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' ILE . 5.3 ttt180 -80.74 102.65 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.22 -25.55 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -47.63 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 60.5 ttt180 -121.05 102.76 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 ' HB2' ' A' ' 95' ' ' ALA . 48.7 mm -57.29 130.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.5 mt -111.43 -49.15 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 9.7 p -145.49 157.62 43.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.71 126.18 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.8 t-20 52.74 28.75 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.29 37.84 23.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 66' ' ' SER . 93.1 t -116.13 128.02 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.45 117.98 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.4 15.86 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -45.29 -42.01 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -131.34 52.84 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.06 156.3 18.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -75.69 165.98 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -51.21 -54.95 20.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.582 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.1 tt0 -52.81 -55.83 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -50.71 -36.56 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.4 -23.16 61.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.41 -47.33 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.17 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.29 -19.45 42.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 91' ' ' VAL . 54.0 mt -97.13 -27.57 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -18.56 57.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -19.81 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.751 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.79 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -171.38 -141.65 3.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -51.59 63.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.01 100.27 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.751 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -110.2 126.36 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' HE2' ' A' ' 18' ' ' LYS . 28.4 m -94.24 100.82 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.701 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -101.0 111.44 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.04 100.72 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.928 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.25 157.97 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -122.26 130.66 53.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -58.42 96.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.86 83.84 33.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.82 -48.29 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.8 mm-40 -67.76 -59.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 63.2 t80 -42.51 -34.99 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -49.65 -28.25 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -63.71 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -86.82 -43.3 12.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -41.5 -43.85 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -60.95 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t 67.66 151.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.68 -179.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.18 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -169.12 82.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.31 132.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -174.74 159.65 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -178.45 172.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 146.23 8.02 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -172.82 175.8 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 168.45 9.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.0 104.89 0.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -74.24 147.36 85.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.06 137.36 3.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.01 170.84 40.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.44 29.05 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.736 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.2 50.97 4.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -114.01 -42.07 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 -66.73 173.8 2.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.627 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.01 167.0 28.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -153.85 131.64 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -73.74 110.02 7.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 HD22 ' A' ' 21' ' ' LEU . 3.4 mt -110.18 139.98 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG13 HG23 ' A' ' 92' ' ' THR . 3.8 mt -124.35 105.07 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 93' ' ' ILE . 2.4 mm? -96.86 147.15 24.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' LYS . 16.3 m-70 -112.65 105.07 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' HIS . 4.3 mttm -39.98 111.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.73 -48.94 25.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.81 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -92.19 -42.88 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.01 -146.53 8.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -83.77 -8.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 75.26 46.41 15.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.6 p90 -169.86 148.56 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.03 171.33 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.2 pt -138.32 155.3 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -140.38 177.23 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.22 -174.46 23.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.44 47.29 0.87 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 16.5 mt-10 -140.41 120.88 14.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t0 46.47 37.97 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.58 56.44 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 1.3 pt-20 -85.02 -29.74 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.18 -172.48 17.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 6.0 mm -128.36 144.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' CE1' ' NH2' ' A' ' 104' ' ' ARG . 30.0 m-85 -146.38 144.5 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.562 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.5 t -62.09 140.55 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.573 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -103.33 -18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 79.1 t80 178.77 165.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.3 mm -131.68 122.01 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -57.93 139.0 55.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.647 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.38 112.55 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.77 53.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.55 -175.18 9.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' C ' HD12 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.96 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.74 -18.37 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -57.1 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 12.5 mt -48.02 -45.52 32.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -56.05 -42.63 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.23 -20.48 29.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.64 -65.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 43' ' ' VAL . 1.1 tp -64.59 124.37 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.98 150.25 44.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 14.8 ttp-105 -54.0 125.31 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 118.64 -33.48 4.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.53 153.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 57.3 ttt180 -112.65 102.29 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 95' ' ' ALA . 50.6 mm -56.93 128.3 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 16' ' ' PRO . 35.0 mt -110.16 -41.1 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 36.1 p -156.57 151.54 26.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.832 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.18 130.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.28 19.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 86.45 45.07 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.832 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -119.2 147.43 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -89.69 109.99 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.73 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.5 mt -123.05 4.43 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.4 mtp180 -37.8 -42.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -133.04 49.41 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -106.79 155.64 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 p -78.41 156.06 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -40.36 -56.21 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.2 tt0 -51.12 -58.42 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -46.47 -45.99 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.82 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -77.69 -46.4 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 -27.42 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.63 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 28' ' ' LEU . 1.7 mm? -84.92 -21.09 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -90.04 -9.45 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.851 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -69.05 -141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.05 -136.33 2.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -74.42 -51.22 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.42 96.87 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.851 HG22 ' HB1' ' A' ' 87' ' ' ALA . 16.5 t -106.17 130.43 57.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.632 HG23 HG13 ' A' ' 20' ' ' ILE . 17.0 m -97.3 100.72 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.815 HD13 HD23 ' A' ' 21' ' ' LEU . 5.0 mp -99.69 115.26 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 18' ' ' LYS . 58.5 t -102.59 101.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.56 166.08 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.84 127.08 45.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.53 97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -134.34 82.8 45.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -26.99 10.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.28 -57.38 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.491 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.3 mm-40 -57.99 -58.92 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 85.6 t80 -54.7 -20.55 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 100' ' ' GLU . 5.6 t -48.73 -32.14 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.598 ' NH2' ' CE1' ' A' ' 42' ' ' PHE . 5.3 ptt85 -62.54 -34.45 76.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 33' ' ' VAL . 12.8 m-85 -79.98 -28.59 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.11 -64.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.55 -59.68 3.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 m -87.57 90.25 8.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.06 149.78 21.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.34 4.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.6 p 178.14 165.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.964 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 m -121.51 135.66 55.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p -170.73 170.61 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -144.6 169.78 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.0 -170.01 28.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -40.63 160.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.93 162.04 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 132.83 2.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -78.64 154.45 78.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.07 3.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.54 -67.51 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.54 95.26 1.79 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.46 85.51 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.24 59.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.1 -44.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.6 mt-10 -67.36 173.62 2.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.605 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 150.03 37.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' CG ' HD11 ' A' ' 19' ' ' ILE . 1.3 ptm180 -135.3 137.0 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HA ' HG22 ' A' ' 94' ' ' VAL . 2.1 tttp -73.67 110.25 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.629 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.1 mt -113.33 110.81 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 4.3 mt -102.04 106.13 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 58' ' ' LEU . 1.4 mm? -95.58 142.63 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 6.8 m170 -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' HD13 ' A' ' 28' ' ' LEU . 6.9 mttm -39.73 118.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.6 -40.49 6.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.66 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -68.36 -54.39 17.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.44 -134.85 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.13 -9.53 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.24 36.34 18.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 p90 -162.4 146.44 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.33 170.37 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.439 HD12 ' HD2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -135.27 151.69 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -139.84 174.55 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 -168.14 15.0 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 34.34 3.28 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -127.97 121.35 29.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 44.72 38.55 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.29 60.8 3.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.1 pt-20 -88.98 -30.32 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 133.58 172.55 12.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -115.89 138.0 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 89.9 m-85 -133.86 162.3 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 37.4 t -81.93 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.535 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -88.04 -32.34 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.3 t80 -168.61 165.84 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.717 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -129.96 116.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -54.93 151.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -97.16 108.95 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.07 -11.89 29.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.24 -174.61 19.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.96 -33.62 4.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.97 65.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -57.7 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 18.9 mt -49.2 -56.38 9.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 58.6 m -40.45 -50.13 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.5 -12.44 68.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.51 -74.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -50.63 145.15 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' H ' HD23 ' A' ' 58' ' ' LEU . 9.2 mtt180 -145.28 151.73 38.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -68.6 115.48 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.71 -26.19 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.19 173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 0.743 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.6 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -127.73 103.91 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.749 HD13 ' HB2' ' A' ' 95' ' ' ALA . 9.5 mm -59.29 129.58 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.0 mt -109.43 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.6 p -144.97 153.2 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.799 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.28 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER 39.63 29.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.88 56.96 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -133.19 147.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -89.77 110.72 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.736 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.9 mt -123.5 3.14 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' LEU . 21.7 mtp180 -38.5 -41.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -129.57 52.12 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -110.36 163.67 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -87.6 162.55 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HD2' HD12 ' A' ' 32' ' ' ILE . 17.8 t-160 -49.4 -42.83 43.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.0 tt0 -63.8 -51.87 62.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -51.03 -48.91 61.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.38 66.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.36 -43.06 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.64 71.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -72.41 -15.08 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 28' ' ' LEU . 48.1 mt -95.03 -29.56 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -16.39 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -91.26 -19.08 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.05 -142.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.04 -128.3 0.99 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.551 ' C ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -84.24 -39.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.49 97.97 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.907 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.7 t -109.11 139.77 30.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.2 m -103.7 100.58 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.783 HG13 HG22 ' A' ' 67' ' ' VAL . 3.2 mp -99.82 114.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 18' ' ' LYS . 66.1 t -103.56 100.53 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.53 156.29 39.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -117.92 131.33 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.78 93.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.92 83.43 56.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.01 13.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.558 1.82 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.6 -51.56 69.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.9 mm-40 -65.35 -60.54 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 64.9 t80 -42.73 -32.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -51.99 -28.04 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.06 -29.1 70.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 43.5 m-85 -85.86 -40.39 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.53 -48.88 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -58.0 10.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -107.15 107.18 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -115.02 177.81 17.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 78.76 2.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.79 84.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -65.18 163.21 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 157.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -164.85 159.95 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.45 -126.98 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.91 171.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.06 165.79 32.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.9 124.92 1.86 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 mtm180 -82.24 139.98 45.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -75.02 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.65 171.05 40.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.153 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.02 8.87 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' ARG . 6.1 m-20 -113.89 22.71 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.18 85.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -134.43 -44.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.8 mt-10 -62.46 173.32 1.0 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 154.18 42.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -143.88 179.04 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -106.01 128.67 53.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 58' ' ' LEU . 7.1 mt -130.01 112.14 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.24 108.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.943 HD11 HD23 ' A' ' 58' ' ' LEU . 34.0 mt -106.98 128.88 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' LYS . 31.9 m-70 -89.6 107.17 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.1 mtmt -38.27 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 -54.61 1.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.5 OUTLIER -165.16 157.08 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 25' ' ' SER . 69.1 p 47.51 23.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' SER . . . 105.24 -144.44 15.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.0 mm? -77.62 -7.53 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' CA ' ' HB3' ' A' ' 47' ' ' LEU . . . 84.26 43.14 7.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.4 p90 -170.23 148.24 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.99 169.16 9.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -140.29 160.79 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.2 m -145.85 177.02 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.9 -177.84 26.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.29 41.25 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -134.28 123.41 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 44.5 30.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.32 58.34 12.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.4 pt-20 -85.41 -31.96 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 130.95 164.41 11.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.9 mm -108.64 147.78 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 25.6 m-85 -149.92 163.49 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 t -86.94 136.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.78 -13.03 19.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.5 t80 177.93 166.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.5 mm -132.39 121.1 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -54.01 139.48 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.606 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -83.05 118.87 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.28 -12.82 67.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.58 -179.08 13.55 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.01 -30.97 6.58 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.85 -21.67 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.33 -56.24 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.0 mt -48.51 -55.83 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.3 m -40.01 -41.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.21 9.12 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.21 -55.46 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.943 HD23 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -74.17 123.72 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -135.38 147.62 49.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 9.5 ttm180 -54.01 122.48 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 112.76 0.19 25.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.44 116.71 18.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 35.2 ttt180 -74.02 109.57 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.759 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.3 mm -68.31 134.98 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 16' ' ' PRO . 38.7 mt -112.5 -52.99 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.5 p -145.58 152.05 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.4 t -127.81 140.13 49.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.1 28.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.93 56.3 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -132.0 147.23 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.14 110.43 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.737 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.2 mt -122.39 3.84 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -38.08 -40.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -132.72 52.45 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -112.06 153.05 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 p -78.66 160.73 27.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -42.21 -57.52 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -50.91 -58.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -46.34 -45.55 17.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -62.85 -39.92 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.12 67.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -24.14 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -74.0 -18.59 60.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 91' ' ' VAL . 1.8 mm? -96.65 -28.09 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -16.61 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -94.36 -18.44 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.18 -144.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -170.61 -147.91 5.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -55.52 -51.59 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.33 104.87 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.679 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.7 t -113.24 136.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.479 HG21 ' HE2' ' A' ' 18' ' ' LYS . 18.9 m -105.33 101.19 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.575 HG13 HG22 ' A' ' 67' ' ' VAL . 5.2 mp -101.71 108.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 17' ' ' ARG . 59.4 t -94.44 101.39 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.3 162.8 23.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -122.26 114.6 21.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.32 95.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -135.78 87.07 26.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.4 7.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.407 ' O ' ' OG ' ' A' ' 103' ' ' SER . 3.2 mt-10 -53.89 -32.79 54.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.9 mm-40 -86.2 -51.83 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.506 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -51.12 -28.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 100' ' ' GLU . 60.8 p -55.34 -27.93 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -63.5 -25.31 68.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 14.3 m-85 -90.83 -46.91 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.47 -51.88 4.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -50.42 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -133.42 103.83 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.89 -150.08 10.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.3 p -140.85 103.49 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.91 159.34 15.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -118.01 96.56 5.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 100.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.95 132.76 3.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t 176.61 108.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -176.71 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -103.54 -114.78 3.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 28.9 mmt-85 -38.61 151.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.73 36.69 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.96 -72.53 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.03 130.66 10.31 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.2 m-20 -116.41 37.82 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 67.74 64.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.2 -46.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.0 mt-10 -75.97 173.06 7.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.0 135.05 18.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -118.4 134.57 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' HG21 ' A' ' 92' ' ' THR . 4.4 ttpt -74.31 107.63 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.654 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.5 mt -109.71 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.502 HG13 HG23 ' A' ' 92' ' ' THR . 4.0 mt -101.07 114.03 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.722 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 mm? -105.59 144.24 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -100.05 102.14 13.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -46.44 113.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.52 -48.99 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 -62.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -63.27 -54.91 29.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -139.14 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.4 mm? -91.56 -10.12 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.01 10.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -162.35 144.61 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.03 176.29 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.91 151.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.0 m -134.1 177.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -159.42 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.81 33.86 6.21 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' ' N ' ' A' ' 38' ' ' GLY . 2.9 mt-10 -126.66 119.42 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 43.82 28.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.9 60.31 8.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.46 -31.68 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.28 142.62 5.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.8 mm -85.86 154.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 67.7 m-85 -155.78 152.28 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 61.4 t -70.78 136.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.494 ' HB3' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -101.57 -35.61 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 36.2 t80 -161.36 164.35 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -133.26 122.03 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.5 tp -58.93 152.81 18.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.54 110.95 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.36 -14.14 36.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.04 -178.15 13.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.94 -33.17 4.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.64 -25.18 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.58 -57.32 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.9 mt -48.55 -55.72 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -40.38 -44.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 -2.06 86.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.13 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -72.65 142.97 48.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -169.19 166.23 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -58.59 116.01 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.36 33.11 1.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.51 151.12 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.664 ' NH1' HD23 ' A' ' 65' ' ' LEU . 46.7 ttt-85 -114.17 99.8 7.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.002 HD13 ' HB2' ' A' ' 95' ' ' ALA . 41.1 mm -57.67 129.27 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD23 ' NH1' ' A' ' 63' ' ' ARG . 17.9 mt -110.34 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 4.3 p -142.86 156.12 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 93' ' ' ILE . 2.6 t -127.48 115.86 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 63.48 31.9 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.97 43.4 27.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 66' ' ' SER . 98.0 t -123.83 125.46 71.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -67.57 113.25 5.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 20.0 mt -130.88 14.3 5.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -44.66 -69.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.45 39.83 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -97.03 147.86 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.4 p -65.71 174.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.829 ' OE1' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -61.92 -60.74 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -45.22 -25.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.12 -40.37 19.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -74.17 -48.12 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB2' ' OE1' ' A' ' 78' ' ' GLU . . . -53.55 -28.12 29.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -68.85 -15.79 63.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 28' ' ' LEU . 2.0 mm? -97.02 -18.07 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -24.85 23.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.34 -7.99 46.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.779 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -73.45 -141.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -168.7 -140.18 2.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -51.51 20.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.99 96.82 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.779 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.3 t -108.81 124.29 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG13 ' A' ' 20' ' ' ILE . 29.3 m -91.69 100.94 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.89 104.88 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.58 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.002 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -124.89 141.65 51.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' HD11 ' A' ' 65' ' ' LEU . 3.5 pt20 -106.75 123.9 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -57.14 100.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -119.88 89.42 42.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.69 19.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.2 -33.04 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.4 mm-40 -85.71 -68.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 22.1 t80 -36.75 -33.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . 71.8 p -46.29 -43.62 15.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 31.5 mtt-85 -49.73 -37.45 29.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -83.41 -47.05 11.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.66 -47.51 20.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.0 t -40.95 -53.89 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.31 147.7 4.79 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.83 101.37 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.1 m 61.89 94.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 145.84 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.731 . . . . 0.0 110.05 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 79.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.6 176.74 35.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -159.33 157.62 30.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 0.787 . . . . 0.0 110.0 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -161.5 169.85 21.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.14 131.56 6.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -144.72 147.66 36.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.14 16.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.9 -167.12 15.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.81 87.21 0.26 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.57 85.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.55 78.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -114.33 -54.59 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.9 mt-10 -57.79 173.49 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.429 1.752 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.599 ' CG ' HD11 ' A' ' 19' ' ' ILE . 3.9 ptm180 -100.81 145.71 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' CE ' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -79.34 111.7 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.599 HD11 ' CG ' ' A' ' 17' ' ' ARG . 3.1 mt -114.31 131.4 66.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.6 103.16 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 93' ' ' ILE . 1.4 mm? -98.87 137.61 37.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -102.7 104.12 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.35 112.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.61 -57.41 1.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -55.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 47' ' ' LEU . 6.3 p -89.17 57.01 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.24 -136.48 32.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 21' ' ' LEU . 1.9 mm? -91.94 -9.14 44.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 81.98 44.85 7.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -169.53 143.36 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.1 t-20 -95.0 174.67 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -143.79 152.87 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -141.77 172.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.25 -154.61 19.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 86.79 2.5 84.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 1.6 mm-40 -86.25 101.14 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 4.5 m-20 82.67 -49.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.9 43.26 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.24 -18.78 41.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.76 171.48 13.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.3 mm -114.66 149.21 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 43.4 m-85 -150.34 149.0 29.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 19.8 t -67.77 138.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.528 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -99.82 -17.43 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 45.3 t80 178.23 162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 ' HG ' ' A' ' 58' ' ' LEU . 1.1 mt -132.86 115.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' OG1' ' A' ' 26' ' ' THR . 5.3 tp -48.76 153.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.53 111.77 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.9 54.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -65.72 178.73 11.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -32.66 5.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -73.86 -15.2 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD2' HG22 ' A' ' 46' ' ' ILE . 1.7 t70 -101.54 -50.77 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.7 mt -54.98 -50.33 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.3 m -40.36 -49.35 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.29 -7.87 69.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mt-10 -89.83 -59.6 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 46' ' ' ILE . 4.2 tp -67.19 129.05 38.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' NE ' ' CE1' ' A' ' 97' ' ' TYR . 1.2 ppt_? -137.2 159.04 43.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' O ' ' CZ ' ' A' ' 59' ' ' ARG . 11.5 ttt180 -70.51 102.6 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 59' ' ' ARG . . . 135.04 -10.39 4.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.09 148.47 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 65' ' ' LEU . 45.5 ttt180 -97.97 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 95' ' ' ALA . 4.7 mm -68.58 98.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.0 mm? -72.3 -55.93 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -145.44 157.73 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.0 t -127.79 137.78 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 39.78 28.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 78.18 56.83 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -133.18 143.01 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -88.63 109.96 20.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HG13 ' A' ' 70' ' ' VAL . 15.7 mt -121.16 -3.3 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LEU . 8.1 mtp180 -36.99 -35.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.28 49.46 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.43 146.68 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.455 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 61.1 p -64.57 178.62 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' N ' ' HA3' ' A' ' 35' ' ' GLY . 13.3 t-160 -64.61 -54.2 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.51 -40.95 79.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -63.66 -34.72 78.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.71 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.72 -42.97 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.33 -19.48 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -78.62 -17.29 56.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.6 mm? -96.2 -14.31 22.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -23.61 23.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -90.56 -14.59 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -63.51 -140.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.0 -148.43 7.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.76 -51.45 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.89 100.94 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.1 t -111.1 140.91 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.556 HG21 ' CE ' ' A' ' 18' ' ' LYS . 99.3 m -107.05 101.16 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 21' ' ' LEU . 3.6 mp -98.22 113.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.647 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -102.57 100.98 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.5 155.48 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -119.26 128.13 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE1' ' NE ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -59.96 94.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 88.41 52.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.65 18.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.12 -44.86 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.13 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 9.0 t80 -37.29 -36.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' TYR . 2.2 t -38.81 -41.85 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -52.27 -52.03 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 33' ' ' VAL . 56.5 m-85 -72.03 -47.28 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.35 -50.1 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -59.18 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -79.22 86.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -101.16 -163.21 27.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -42.5 -52.34 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.84 -76.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -170.02 107.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.8 153.59 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.42 129.44 1.96 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.92 117.4 9.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 p -89.44 150.69 22.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.1 -122.31 0.61 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.98 155.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.75 33.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.06 -152.91 24.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.33 -86.16 1.91 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -170.46 33.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' ARG . . . -177.78 -111.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 1.6 mpt_? 74.07 -49.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -69.49 174.79 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 156.67 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -141.33 -179.41 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD3' HD11 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -107.5 122.68 47.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.819 HG22 HD21 ' A' ' 21' ' ' LEU . 4.9 mt -126.0 107.92 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 ' HD3' ' A' ' 18' ' ' LYS . 6.6 mt -98.86 106.39 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.958 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 mm? -100.94 136.18 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -95.15 107.43 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.573 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -51.56 110.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.75 -66.08 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 -45.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -121.91 63.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.08 164.76 24.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 21' ' ' LEU . 29.3 mt -63.21 -71.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 150.91 49.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 10.4 p90 -172.55 152.51 2.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 2.9 t-20 -95.03 171.73 8.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 1.6 pt -140.79 153.98 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.8 m -140.06 174.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.05 -166.91 13.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.17 37.17 4.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.77 116.13 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 43.76 38.8 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 63.68 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -93.14 -29.56 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 131.01 -172.23 20.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' ILE . 6.6 mm -131.32 135.76 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 66.6 m-85 -138.66 156.58 47.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 40.1 t -76.49 136.66 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.476 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -101.01 -15.63 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 16.5 t80 -179.96 160.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.529 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -128.47 124.2 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' HA3' ' A' ' 50' ' ' GLY . 10.0 tp -53.04 156.17 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.29 123.4 36.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.73 -0.74 60.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -71.46 -174.02 18.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.96 -36.27 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -69.64 -23.27 63.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -56.55 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' SER . 15.2 mt -47.31 -56.85 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.1 p -38.69 -44.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.96 -16.76 45.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.06 -54.54 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.753 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -70.33 123.4 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 58' ' ' LEU . 2.6 mtt180 -137.85 150.62 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 31.1 ttp180 -66.64 104.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 143.77 -21.84 2.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.17 173.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -124.35 105.63 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' A' ' 95' ' ' ALA . 16.0 mm -62.2 122.82 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 25.6 mt -99.76 -54.41 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 5.1 p -138.15 160.17 40.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 70' ' ' VAL . 3.8 t -123.21 106.67 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 t-20 75.0 -55.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.16 35.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.678 HG13 ' HG ' ' A' ' 72' ' ' LEU . 9.5 p -116.48 143.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.05 103.05 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.6 mt -113.0 14.49 19.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -43.99 -38.49 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -138.96 50.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.53 166.59 10.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.2 p -73.38 173.77 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 32' ' ' ILE . 11.4 t-160 -66.62 -51.34 57.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.17 -37.82 81.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.9 -50.48 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.662 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -60.13 -24.12 64.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.2 -40.27 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.08 63.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -79.92 -19.82 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 HG11 ' A' ' 91' ' ' VAL . 40.3 mt -93.64 -21.58 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -21.78 31.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -12.38 28.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.9 -143.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.486 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -161.82 -144.77 4.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.89 -51.37 40.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.44 93.34 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.659 HG22 ' HB1' ' A' ' 87' ' ' ALA . 19.3 t -103.19 122.43 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.2 m -91.96 101.12 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -98.96 119.72 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ARG . 75.7 t -101.36 100.99 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -120.64 165.95 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -129.49 117.67 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 97.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.03 83.58 45.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.04 18.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.6 -28.78 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.6 mm-40 -87.87 -67.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 76.8 t80 -40.03 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . 13.1 t -38.63 -44.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -52.05 -52.94 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -66.41 -16.64 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.453 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.1 mm-40 -76.22 -53.58 8.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -52.76 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 138.78 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.14 -165.6 38.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.9 t -121.81 97.34 5.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.7 m 67.85 156.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.81 168.42 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -162.36 127.48 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.66 175.64 16.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.67 163.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p 179.72 156.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.78 166.4 10.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -131.23 134.38 25.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.93 4.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.04 -114.09 0.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' HA3' ' NE ' ' A' ' 14' ' ' ARG . . . -51.07 -176.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -145.28 39.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -177.14 67.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' NE ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -136.89 -45.91 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.2 mt-10 -68.2 172.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.689 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 140.34 25.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.8 ptm180 -122.74 136.24 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 112.53 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.2 mt -114.67 112.5 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 92' ' ' THR . 5.7 mt -98.23 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -94.6 136.96 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -103.3 99.41 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -42.15 112.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.15 -42.89 6.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.31 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 26' ' ' THR . 69.5 p -45.83 -31.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 -140.72 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 21' ' ' LEU . 19.3 mt -93.95 -8.96 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 28.25 26.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 2.4 p90 -167.23 144.42 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.33 176.3 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.35 155.3 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 42' ' ' PHE . 1.1 m -143.01 169.72 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.55 177.39 38.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 114.62 35.0 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.03 109.92 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.57 18.41 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.96 66.77 2.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -101.0 -22.83 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.62 171.53 13.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.3 mm -118.63 148.2 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' O ' HG22 ' A' ' 33' ' ' VAL . 33.4 m-85 -152.15 141.72 21.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -59.89 141.93 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.603 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.2 -32.53 10.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 35.6 t80 -164.15 166.78 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -134.33 124.58 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.0 tp -66.9 152.22 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.93 111.18 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.19 -12.93 40.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.87 -177.62 15.22 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -28.47 9.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -71.37 -40.59 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -58.25 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.7 mt -47.01 -53.32 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 14.3 p -39.65 -40.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.04 -6.73 61.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -88.87 -55.23 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -67.46 145.72 54.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' H ' HD23 ' A' ' 58' ' ' LEU . 6.9 mtt180 -149.43 156.63 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 46' ' ' ILE . 2.9 ttm180 -69.62 112.67 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 126.59 -23.4 5.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.24 153.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 43.5 ttt180 -108.92 105.22 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.2 mm -59.82 132.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 16' ' ' PRO . 34.0 mt -111.74 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 31.3 p -147.28 153.95 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.817 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.3 t -128.04 131.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 49.1 21.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 84.27 51.45 3.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.817 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -127.25 146.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -88.76 109.79 20.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.749 ' HG ' HG13 ' A' ' 70' ' ' VAL . 25.3 mt -119.02 -0.88 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' LEU . 3.2 mtp-105 -37.36 -40.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.52 51.43 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -114.98 152.81 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.446 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 14.1 p -76.53 166.6 23.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -52.76 -40.45 63.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ALA . 18.5 tt0 -65.46 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -47.4 -44.13 24.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.09 73.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -81.01 -30.96 34.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . . . -66.46 -25.1 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -75.08 -16.64 60.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.682 HD12 HD11 ' A' ' 28' ' ' LEU . 1.6 mm? -97.01 -29.22 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -78.15 -26.32 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -11.89 43.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.54 -143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.04 -126.05 0.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.54 -50.95 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.27 94.24 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.6 t -107.63 139.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 20' ' ' ILE . 23.1 m -101.71 100.64 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 67' ' ' VAL . 3.8 mp -97.79 111.01 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.29 100.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.559 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -123.98 158.19 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.8 pt20 -126.48 123.38 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.48 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.1 83.75 50.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -41.42 -53.28 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 3.1 mt-10 -67.59 -62.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.5 t80 -41.4 -35.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t -48.62 -29.71 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -62.16 -29.95 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -85.85 -40.87 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 -60.21 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -60.7 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -128.01 117.66 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.32 -173.08 40.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.73 93.67 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 166.6 18.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -176.49 149.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.8 169.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.34 161.42 35.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 144.02 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.46 170.1 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 -61.33 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 61.94 157.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.345 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.5 20.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.22 124.48 7.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.76 178.31 16.7 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -93.59 24.39 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.47 90.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -125.86 -59.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.4 mt-10 -51.58 173.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptp85 -95.06 174.83 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 131.25 53.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.3 mt -132.55 136.87 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 20' ' ' ILE . 5.5 mt -120.26 95.48 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 93' ' ' ILE . 1.7 mm? -88.6 136.9 32.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -102.26 102.77 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.556 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -40.75 111.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.6 -60.09 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.31 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -75.12 -47.26 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 -133.4 2.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.5 mm? -93.97 -8.45 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.4 9.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.5 p90 -174.14 151.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -106.2 168.98 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.3 pt -133.48 157.29 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.1 m -139.79 177.6 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.6 -156.34 17.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.91 35.88 6.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.38 117.32 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 42.09 38.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.17 54.62 14.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 1.1 pp20? -80.92 -26.9 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 124.1 153.04 8.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.8 mm -100.38 142.46 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 38.4 m-85 -144.06 158.73 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 28.2 t -78.41 132.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.537 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -95.91 -26.81 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 50.6 t80 -167.41 161.7 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.1 mm -132.49 118.17 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.43 149.47 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.26 113.94 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.58 -8.67 62.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.31 -177.67 13.54 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.85 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -96.38 -56.42 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.4 mt -49.52 -55.27 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 51' ' ' PRO . 75.5 m -40.44 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.88 2.56 71.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mm-40 -95.09 -57.15 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 46' ' ' ILE . 2.6 tp -69.08 129.36 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -143.53 141.51 30.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 13.6 ttp-105 -51.24 119.27 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.4 -18.65 8.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.22 128.89 38.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 15.6 ttt180 -82.3 116.14 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.951 HD13 ' HB2' ' A' ' 95' ' ' ALA . 11.7 mm -72.0 103.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.6 mm? -71.84 -55.53 7.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 m -148.13 163.96 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 93' ' ' ILE . 2.2 t -127.51 138.77 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.23 33.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 74.67 47.96 14.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' VAL . 79.7 t -129.39 110.72 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -53.65 103.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 80' ' ' ALA . 14.8 mt -101.45 2.51 39.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -37.72 -70.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -100.17 41.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -100.14 142.5 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 p -76.59 162.88 27.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.61 -48.95 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -54.21 -40.87 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -66.18 -30.36 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.85 -45.55 18.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.77 -27.47 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.31 -19.29 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.74 -32.32 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -70.86 -18.1 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.67 -21.98 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -61.79 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.553 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -179.01 -146.78 6.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.79 -51.55 68.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.69 109.55 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.8 t -121.24 131.05 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 m -97.85 101.24 12.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.848 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -97.14 115.04 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 57.9 t -102.77 101.69 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.951 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.41 152.73 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.2 pt20 -111.8 127.04 55.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -125.29 82.4 62.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.07 17.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.38 -36.56 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.3 mm-40 -76.65 -68.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' SER . 32.3 t80 -38.73 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 28.2 t -38.74 -42.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -53.36 -53.19 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -67.95 -37.62 81.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -41.31 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -55.38 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.07 102.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -114.6 -165.59 15.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.21 5.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.3 m -88.39 105.03 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.1 m -100.7 -58.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.11 163.32 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 64.38 168.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.96 79.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.74 123.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.98 135.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.54 88.98 0.5 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -130.18 147.46 65.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.59 16.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.36 133.19 1.57 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.18 144.91 12.11 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.67 25.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.632 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . 54.19 68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -125.27 -44.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 -77.22 173.87 6.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.865 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.4 Cg_endo -74.99 115.26 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.632 HH12 ' HB1' ' A' ' 13' ' ' ALA . 1.9 ptm180 -91.7 140.93 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.627 ' HD3' HD11 ' A' ' 20' ' ' ILE . 15.2 ttmt -73.59 109.44 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 57' ' ' GLU . 7.5 mt -113.05 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.5 mt -87.33 107.73 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 58' ' ' LEU . 87.0 mt -105.08 141.07 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 30.4 m80 -100.95 102.39 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.653 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.4 mtmt -39.86 111.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.36 -44.69 21.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.06 -60.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.3 p -67.28 -51.75 48.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.1 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 ' CD2' HD22 ' A' ' 84' ' ' LEU . 2.4 mm? -90.33 -9.77 46.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.44 34.36 12.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' A' ' 28' ' ' LEU . 2.2 p90 -161.01 147.34 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.89 173.62 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG13 ' NE2' ' A' ' 77' ' ' HIS . 7.9 pt -143.19 150.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.3 m -136.5 176.8 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 -153.99 16.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 32.2 11.09 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 3.5 mt-10 -124.49 121.29 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 40.88 32.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 56.53 47.22 85.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -74.16 -24.38 59.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 119.86 166.41 13.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.5 mm -106.23 145.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 m-85 -147.33 155.26 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG21 ' CD2' ' A' ' 58' ' ' LEU . 50.6 t -74.27 134.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.54 -29.36 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.7 t80 -169.76 162.88 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -127.17 119.02 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.4 tp -57.31 151.95 15.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.47 111.4 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 109.73 -16.28 31.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.87 -176.16 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.96 -31.67 6.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -72.1 -9.56 58.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -110.91 -54.35 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 84.6 mt -58.33 -53.13 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 20.8 t -46.49 -25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 84.03 -8.25 67.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG23 ' A' ' 19' ' ' ILE . 3.1 mm-40 -97.88 178.11 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER 58.27 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' H ' HD23 ' A' ' 58' ' ' LEU . 8.9 ptt180 -176.18 158.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 ttt-85 -58.86 119.07 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.28 31.53 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 47.2 ttt-85 -66.68 119.76 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 95' ' ' ALA . 3.7 mm -75.8 98.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' A' ' 96' ' ' GLN . 4.0 mm? -70.39 -55.49 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -145.15 161.33 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 72' ' ' LEU . 2.5 t -127.47 108.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 64.43 37.36 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 38.84 50.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.8 116.38 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.5 115.11 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 67' ' ' VAL . 22.4 mt -128.56 15.23 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.4 mtp180 -39.24 -55.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -119.08 63.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.04 148.33 41.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -67.2 149.23 50.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.423 ' NE2' HG13 ' A' ' 32' ' ' ILE . 23.0 t-160 -42.91 -42.28 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 10.4 tt0 -63.02 -53.07 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -47.89 -49.77 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.16 63.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.68 -47.43 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -29.45 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.02 -15.31 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 28' ' ' LEU . 41.2 mt -93.03 -34.61 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -24.03 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -13.16 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.5 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.29 -150.45 7.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.08 -51.72 62.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.17 95.33 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.637 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.2 t -110.11 119.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -87.45 100.22 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 91' ' ' VAL . 5.0 mp -94.54 106.79 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -98.81 101.39 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.77 154.45 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HG2' HD21 ' A' ' 65' ' ' LEU . 7.1 pt20 -124.62 128.03 48.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.45 156.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.56 88.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -48.42 -36.19 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.66 -69.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -41.62 -36.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 97.6 p -47.42 -32.09 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -59.27 -25.74 64.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -94.33 -50.04 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 107' ' ' SER . 0.0 OUTLIER -41.33 -33.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -73.69 -58.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.3 100.85 7.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.9 -173.71 28.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 78.92 2.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.813 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.76 95.82 3.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -111.14 94.68 5.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p -168.37 140.03 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.956 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.54 162.21 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.09 -148.23 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.14 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.53 152.47 2.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.42 131.18 10.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -137.09 158.71 72.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.92 3.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.65 93.24 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.22 86.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.86 85.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 0.734 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.44 67.58 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.98 -43.5 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.8 mt-10 -66.43 173.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.599 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 137.57 21.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.3 ptm180 -113.34 142.52 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.727 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -76.09 107.21 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.5 mt -104.44 89.04 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.725 HG13 HG23 ' A' ' 92' ' ' THR . 3.6 mt -79.74 103.43 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 58' ' ' LEU . 78.8 mt -100.9 147.01 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' LYS . 57.3 m170 -114.45 95.85 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 5.4 mttm -39.33 119.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.49 -38.94 7.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m 172.0 -64.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 p -55.51 -32.83 63.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.18 -141.27 8.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 84' ' ' LEU . 67.3 mt -94.3 -12.01 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 31.5 53.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -163.62 142.33 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.0 176.59 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 2.6 pt -139.94 163.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -148.48 177.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.91 -162.83 13.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.35 29.8 8.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -120.81 117.87 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 50.12 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.83 58.62 13.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -88.5 -24.48 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.34 171.11 13.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.28 143.97 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 101' ' ' GLU . 60.8 m-85 -144.21 156.46 44.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.744 HG21 ' CD2' ' A' ' 58' ' ' LEU . 55.7 t -74.45 133.72 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.555 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -94.23 -33.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 73.7 t80 -164.53 165.02 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -135.5 120.27 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -61.84 139.37 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -85.5 108.45 17.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.02 -9.95 31.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.4 -172.68 15.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -75.01 -32.99 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.64 -39.77 76.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 15.1 mt -45.76 -57.76 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 86.4 p -44.41 -43.69 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.81 -9.19 63.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 19' ' ' ILE . 18.7 mm-40 -73.39 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.65 137.96 54.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -141.83 144.19 33.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 116.7 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.66 8.67 12.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 140.12 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 9.9 ttt180 -91.52 111.77 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.033 HD13 ' HB2' ' A' ' 95' ' ' ALA . 13.1 mm -67.5 104.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -74.01 -56.19 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.3 p -143.73 158.88 43.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.761 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.01 137.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER 39.43 29.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 78.04 57.27 3.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -134.61 144.87 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -87.75 110.31 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.739 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.6 mt -122.65 -1.19 9.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 32.7 mtp85 -37.22 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' LEU . 21.1 m-80 -137.96 57.11 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.99 160.53 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.4 p -87.13 158.41 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t-160 -41.86 -50.94 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.87 -56.51 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -50.46 -48.95 56.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.36 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.57 32.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.8 -18.98 9.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HA ' ' CD ' ' A' ' 86' ' ' ARG . . . -80.31 -27.79 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD11 ' A' ' 28' ' ' LEU . 2.0 mm? -87.23 -14.46 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -26.15 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -89.96 -8.26 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.681 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -75.87 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -169.55 -138.65 2.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.4 -52.5 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.09 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.6 t -108.12 133.29 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.725 HG23 HG13 ' A' ' 20' ' ' ILE . 99.9 m -100.16 99.99 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.803 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -97.17 108.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' HG3' ' A' ' 18' ' ' LYS . 12.2 t -96.5 101.56 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 1.033 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.46 150.4 48.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.475 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 1.6 pt20 -110.19 130.83 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.44 95.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -129.56 85.11 59.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.54 18.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.574 1.828 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.76 -44.69 96.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -68.76 -61.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 24.4 t80 -36.43 -35.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 t -39.24 -35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -59.06 -50.57 73.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 33' ' ' VAL . 39.7 m-85 -71.17 -35.02 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.82 -49.41 75.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.73 -59.34 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.74 97.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.32 -174.31 14.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -52.69 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.47 169.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.76 -58.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.79 133.57 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -135.07 115.94 14.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.99 126.8 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -69.04 154.82 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 m -69.45 -61.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.44 -130.45 1.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -136.42 147.51 60.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.87 31.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.71 165.09 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.17 -156.85 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.76 31.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.98 90.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 -61.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' C ' ' HG2' ' A' ' 96' ' ' GLN . 3.2 mt-10 -48.03 173.4 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.942 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -78.87 130.43 35.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HG2' HG22 ' A' ' 92' ' ' THR . 5.8 tttt -73.13 98.4 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.927 HD13 HD13 ' A' ' 58' ' ' LEU . 3.5 mt -97.58 141.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.605 HG13 HG23 ' A' ' 92' ' ' THR . 6.0 mt -124.98 92.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.784 ' CD2' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -86.49 137.79 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 89' ' ' GLN . 24.9 m-70 -103.69 96.42 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.608 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.35 110.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.14 -63.45 2.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.93 -50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -66.47 -47.36 73.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.22 -143.24 6.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 21' ' ' LEU . 16.3 mt -93.85 -9.25 37.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 77.59 42.45 17.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.2 p90 -177.9 149.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.24 173.17 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG23 ' HE1' ' A' ' 30' ' ' PHE . 4.6 pt -131.86 159.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.6 m -143.31 177.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.02 -161.62 28.1 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.93 15.42 39.36 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.33 129.38 56.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 46.16 34.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.39 53.88 7.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.73 -33.08 23.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.63 -173.51 22.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.9 mm -132.82 140.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 33' ' ' VAL . 34.0 m-85 -147.09 151.95 37.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.0 t -68.46 135.72 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.19 -30.02 14.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 55.9 t80 -166.11 165.2 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.61 117.2 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.4 tp -55.37 152.65 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.49 109.65 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.67 -8.05 46.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -177.87 14.14 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 -34.68 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 58' ' ' LEU . . . -70.83 -21.7 62.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -96.34 -53.07 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' SER . 26.7 mt -54.39 -54.56 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' LEU . 30.8 t -37.06 -39.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.48 9.74 81.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.91 -69.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.927 HD13 HD13 ' A' ' 19' ' ' ILE . 5.9 tp -57.88 132.35 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -143.93 145.72 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -51.91 102.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.03 44.86 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 0.5 OUTLIER -122.7 135.55 54.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -84.85 116.33 23.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 1.8 mm -75.84 119.36 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.056 HD21 ' OE1' ' A' ' 96' ' ' GLN . 4.3 mm? -92.2 -56.69 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 p -142.77 160.97 39.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.93 114.33 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.33 30.63 19.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.02 39.52 16.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.89 117.7 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.56 120.39 9.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -139.0 14.7 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -40.17 -54.58 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -119.67 62.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.55 151.43 37.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.9 p -65.0 154.7 36.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -46.67 -45.17 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ALA . 8.1 tt0 -63.23 -52.08 63.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.54 -25.82 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -88.81 -45.93 9.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.15 -25.89 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.12 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 28' ' ' LEU . 1.4 mm? -90.56 -14.14 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -22.67 20.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -9.61 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.83 -143.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.51 -124.91 0.75 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.2 mt-30 -89.26 -53.17 4.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.77 94.75 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.796 HG22 ' HB1' ' A' ' 87' ' ' ALA . 15.1 t -109.31 132.03 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.605 HG23 HG13 ' A' ' 20' ' ' ILE . 6.6 m -95.14 100.77 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.784 HD13 ' CD2' ' A' ' 21' ' ' LEU . 5.2 mp -95.86 111.46 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 16' ' ' PRO . 5.0 t -103.22 101.38 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 64' ' ' ILE . . . -134.36 151.56 51.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 1.056 ' OE1' HD21 ' A' ' 65' ' ' LEU . 17.1 mt-30 -90.29 155.79 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.45 75.3 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -119.42 90.06 41.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.46 20.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.53 -38.23 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.47 -55.21 5.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.7 t80 -42.74 -35.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 83.9 p -47.69 -31.34 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -59.09 -24.0 62.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 15.2 m-85 -94.22 -50.68 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 107' ' ' SER . 0.0 OUTLIER -43.27 -32.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -78.8 -59.42 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.58 102.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.71 -154.96 42.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 167.16 27.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 t -86.74 144.04 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -153.5 166.23 33.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -130.1 155.18 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -64.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.93 -72.03 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m 58.07 163.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.03 167.89 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.48 150.1 16.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -129.31 141.74 42.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.83 -139.49 4.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.34 160.59 10.99 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 m-20 -96.76 24.51 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 71.76 83.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -56.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 -47.48 173.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HA ' ' HG2' ' A' ' 96' ' ' GLN . 18.5 Cg_endo -74.98 115.83 4.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.643 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.7 ptp85 -89.95 173.33 8.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' HD11 ' A' ' 20' ' ' ILE . 1.1 ttmp? -110.68 122.52 48.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.947 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.1 mt -120.48 102.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.7 mt -93.1 100.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.883 HD11 HD23 ' A' ' 58' ' ' LEU . 28.8 mt -99.09 131.91 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -95.76 105.78 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.627 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 87' ' ' ALA . 6.2 mtmt -42.27 110.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.56 -61.44 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -71.26 -51.44 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.73 -136.23 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.878 HD23 HD12 ' A' ' 84' ' ' LEU . 2.6 mm? -93.68 -10.2 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 78.54 45.49 9.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.0 p90 -169.21 147.65 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.38 174.63 5.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 6.1 pt -138.12 158.56 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 5.0 m -143.12 176.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.02 -161.14 15.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.14 29.95 7.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -123.54 125.98 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 42.02 31.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.16 56.24 10.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.3 -35.44 25.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.73 160.91 8.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 33' ' ' VAL . 7.7 mm -100.65 146.06 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 42.6 m-85 -143.35 162.33 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 58' ' ' LEU . 47.0 t -80.41 133.31 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.507 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.92 -23.04 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 74.2 t80 -177.78 167.44 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.2 mm -133.78 120.42 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -55.4 138.3 46.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -78.28 118.33 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.26 -11.1 72.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -63.98 -179.19 5.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.0 -29.37 8.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -71.75 -32.5 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 30.6 t0 -84.07 -58.33 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 22.4 mt -46.49 -50.35 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.1 p -48.94 -44.71 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.91 -18.73 37.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' CB ' HG12 ' A' ' 19' ' ' ILE . 6.8 mm-40 -72.66 -53.09 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.947 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -79.11 122.71 26.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.469 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -142.85 148.47 37.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 22.3 ttp-105 -54.31 125.76 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.525 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 121.68 -23.3 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.12 161.1 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -117.05 95.75 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 95' ' ' ALA . 24.6 mm -52.54 127.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 96' ' ' GLN . 23.0 mt -112.89 -47.58 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -148.24 150.67 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 t -125.0 114.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 62.6 44.28 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.39 46.15 93.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 72' ' ' LEU . 82.1 t -126.03 118.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.5 115.2 5.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' ALA . 13.0 mt -137.28 18.56 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.525 ' HG2' HD22 ' A' ' 65' ' ' LEU . 4.8 mtp85 -40.83 -69.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -103.99 52.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 79' ' ' GLN . . . -104.5 147.63 27.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -64.64 160.87 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -49.51 -37.46 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' ALA . 14.1 tt0 -71.58 -53.65 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.413 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . 62.1 mt-30 -48.65 -36.01 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -74.78 -29.13 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -80.6 -34.56 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.61 -20.75 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -82.81 -48.31 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.878 HD12 HD23 ' A' ' 28' ' ' LEU . 2.0 mm? -57.62 -17.6 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -45.23 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.04 -7.22 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 91' ' ' VAL . . . -67.5 111.38 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.471 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -72.95 -161.59 6.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -55.58 -52.13 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.76 97.96 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.707 ' CG1' ' HB1' ' A' ' 87' ' ' ALA . 2.5 t -105.26 134.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -101.69 101.95 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.06 117.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.95 102.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -130.14 156.75 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.539 ' HG3' HD11 ' A' ' 65' ' ' LEU . 4.0 mt-30 -104.8 108.61 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -52.47 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' GLN . 5.9 mmt180 -131.93 89.44 38.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.7 19.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.57 -37.29 82.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.8 mm-40 -74.36 -61.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.9 t80 -39.29 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 29.5 t -38.19 -44.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -51.04 -53.89 29.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -65.71 -35.99 82.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.564 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.4 mm-40 -53.53 -54.92 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -58.11 -62.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.1 116.53 12.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -154.58 6.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.18 -55.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.0 m 63.67 151.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 p -172.04 160.98 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.984 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -117.41 167.24 11.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.58 -149.8 8.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.16 171.2 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.65 130.9 53.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.21 -176.78 46.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.138 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.72 130.58 29.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.11 21.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.39 -173.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.54 -92.24 1.28 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -120.65 27.34 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.77 87.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -117.06 -60.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 mt-10 -49.85 173.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 121.67 6.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.738 ' CD ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -93.52 176.03 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 125.95 51.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.738 HD11 ' CD ' ' A' ' 17' ' ' ARG . 5.1 mt -131.52 125.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.49 103.27 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 HD13 ' A' ' 93' ' ' ILE . 1.6 mm? -99.0 136.17 39.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.7 m80 -99.83 101.7 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 18.2 mtmt -40.08 113.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.8 -71.61 1.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 68.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 p 50.78 49.14 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.75 159.93 21.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -83.78 -9.8 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.8 45.43 6.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 2.3 p90 -169.34 146.08 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.51 172.81 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -139.85 151.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.2 m -139.38 179.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' HD13 ' A' ' 41' ' ' ILE . . . 56.52 165.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' HIS . . . 131.15 65.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.2 mt-10 -134.87 108.31 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 16.1 m-20 68.75 -65.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -168.54 28.23 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 42' ' ' PHE . . . 155.53 124.2 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 10.4 mm -75.72 157.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' ARG . 98.3 m-85 -164.27 149.06 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 58' ' ' LEU . 39.5 t -72.97 127.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -90.61 -17.14 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 47' ' ' LEU . 27.3 t80 178.24 163.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -130.98 110.13 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 5.8 tp -40.4 154.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.93 116.99 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.65 -8.01 77.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.85 179.64 10.33 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.94 -34.19 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.05 -58.21 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.83 -50.17 18.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -45.16 -45.64 11.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.01 -27.63 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 16.0 mt-10 -66.54 -56.48 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.2 tp -67.88 123.12 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' N ' HD12 ' A' ' 58' ' ' LEU . 6.6 mtt180 -139.96 142.33 36.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 21.3 ttp-105 -49.24 129.09 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.4 -26.24 9.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -66.17 126.55 29.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 4.3 ttp85 -81.73 128.36 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 95' ' ' ALA . 35.4 mm -73.08 87.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' PRO . 2.3 mm? -63.65 -55.54 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 21.0 p -144.51 151.78 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.01 141.27 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.512 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.1 OUTLIER 39.57 29.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 76.54 53.76 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -129.14 146.53 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.76 111.64 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.719 ' HG ' HG13 ' A' ' 70' ' ' VAL . 18.3 mt -123.68 3.61 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -38.66 -60.98 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -108.01 41.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -98.92 166.37 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 32.3 p -83.58 -164.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t-160 -82.04 -45.86 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.579 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.65 -38.34 86.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -41.8 88.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -68.11 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.24 -45.54 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.38 -17.48 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.04 47.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.7 mm? -96.49 -16.7 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -16.51 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -15.13 25.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.26 -144.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.598 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.04 -144.96 5.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.55 -51.86 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 106.52 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 87' ' ' ALA . 3.1 t -120.99 125.96 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -94.82 100.23 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.78 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -95.44 113.87 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 17' ' ' ARG . 39.8 t -103.11 101.21 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -122.89 161.61 23.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.525 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 pt20 -118.54 113.17 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.83 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -137.69 85.81 19.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.5 Cg_endo -74.98 -33.74 4.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.0 -34.05 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -80.27 -60.82 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 106' ' ' GLU . 78.4 t80 -57.78 -17.02 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' PRO . 7.5 t -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -55.35 -45.98 76.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 102' ' ' TYR . 24.8 m-85 -68.63 -30.53 69.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.539 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 2.0 mm-40 -58.02 -61.94 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.69 -54.81 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m -52.42 -57.51 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -54.19 150.16 15.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -79.69 103.67 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 54.3 p -155.61 169.27 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -135.28 169.04 18.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -140.24 97.85 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.75 -151.43 16.65 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -179.01 151.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.44 172.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.37 7.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -95.59 147.27 32.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.574 0.808 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.35 -153.88 9.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.33 -166.61 11.87 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -119.49 26.46 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 73.34 82.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.79 -44.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.96 172.94 8.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.831 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.59 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptp85 -83.08 175.11 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -101.91 128.29 48.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD ' ' A' ' 17' ' ' ARG . 6.0 mt -133.35 111.86 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' ILE . 3.2 mt -100.36 99.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 HD23 ' A' ' 58' ' ' LEU . 71.1 mt -95.4 139.2 32.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 12.2 m170 -103.47 102.84 12.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.8 mtmt -39.19 110.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.86 -57.4 5.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 -57.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.9 p -72.64 -49.91 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.78 -145.7 5.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 mm? -86.91 -9.04 56.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 82.76 42.48 8.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.3 p90 -168.67 148.67 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.18 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.1 152.45 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.0 OUTLIER -139.2 162.77 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.67 -148.24 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.76 38.55 11.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -132.82 120.42 21.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 t0 46.33 27.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.63 71.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.37 -32.9 66.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.17 160.5 9.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.7 mm -105.08 139.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 13.0 m-85 -138.92 159.07 43.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 26.7 t -79.53 136.61 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.81 -37.53 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 76.2 t80 -157.54 167.55 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -134.59 118.56 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -53.84 138.55 35.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.45 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.33 -13.31 60.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.26 -177.32 9.55 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' C ' HD22 ' A' ' 21' ' ' LEU . 18.0 Cg_endo -75.04 -32.33 5.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.06 -28.82 66.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 53' ' ' ASP . 27.4 t0 -89.25 -58.16 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 19.8 mt -47.91 -55.26 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -39.56 -50.11 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.66 -2.02 79.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.18 -46.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.932 HD23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -83.31 124.19 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' NH2' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -138.92 161.38 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 30.6 ttp180 -66.41 82.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' ' NH2' ' A' ' 59' ' ' ARG . . . 149.32 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.38 111.22 11.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' HB1' ' A' ' 95' ' ' ALA . 65.0 ttt180 -61.62 124.81 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.637 HD13 ' HB2' ' A' ' 95' ' ' ALA . 14.7 mm -80.01 99.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' HG2' ' A' ' 96' ' ' GLN . 3.9 mm? -74.89 -55.45 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.4 p -146.14 167.12 24.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.047 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -130.47 131.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' VAL . 4.1 t-20 39.12 29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 86.03 47.91 4.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 67' ' ' VAL . 74.1 t -122.18 119.88 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -70.89 105.65 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 67' ' ' VAL . 96.0 mt -121.56 10.94 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.3 mtp180 -38.23 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 4.1 m120 -147.48 69.17 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -122.57 173.91 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.4 p -90.05 166.87 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -55.69 -48.64 74.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -62.36 -53.04 60.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -49.75 -31.33 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -76.66 -41.3 46.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.64 -43.29 76.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.79 -27.52 63.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.632 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -73.45 -30.54 63.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.45 HD11 ' HZ ' ' A' ' 30' ' ' PHE . 50.3 mt -85.36 -22.8 28.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.52 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -8.62 52.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.686 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -65.9 -135.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.66 -144.8 5.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.0 mp0 -70.6 -52.67 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.98 103.06 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.686 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 3.5 t -117.36 136.71 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.0 m -104.14 101.09 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.61 118.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 16' ' ' PRO . 19.9 t -104.77 101.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.38 156.94 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.599 ' HG2' HD21 ' A' ' 65' ' ' LEU . 2.1 pt20 -123.75 131.63 53.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -50.73 156.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.42 92.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -45.8 -60.0 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.0 -70.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 20.0 t80 -41.82 -35.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -23.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -32.02 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' TYR . 32.5 m-85 -90.58 -33.58 15.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.5 -61.23 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -62.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.3 160.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -96.96 -158.53 31.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.86 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.48 119.3 15.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.1 m -55.63 -57.8 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -162.67 153.0 16.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m 61.29 152.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.7 -175.27 35.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.73 105.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -84.22 154.9 22.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 80.3 1.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -130.35 128.9 22.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.32 12.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 157.74 31.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.95 90.81 0.6 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.75 84.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 14' ' ' ARG . . . -119.95 -130.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 78.77 -47.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.07 170.91 4.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 129.54 12.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.38 131.37 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.85 108.43 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.5 mt -107.9 127.65 63.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.04 108.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.901 HD11 HD23 ' A' ' 58' ' ' LEU . 22.2 mt -105.25 144.88 31.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 33.8 m170 -109.37 97.91 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.0 mtmt -38.6 113.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.39 -71.9 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.438 ' C ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -102.42 -69.35 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 25' ' ' SER . 23.1 p -151.03 40.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.09 168.06 41.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.2 mm? -88.48 -9.83 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 80.22 45.95 7.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.8 p90 -172.94 147.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 1.3 t-20 -102.52 172.24 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' C ' ' CG1' ' A' ' 33' ' ' VAL . 1.3 pt -142.57 167.55 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -149.55 173.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.56 -163.83 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.26 33.92 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' GLY . 3.2 mm-40 -127.61 120.64 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 45.0 27.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.11 56.41 19.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.36 -32.85 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.14 152.03 6.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 20.6 mm -93.62 147.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 31.6 m-85 -147.95 150.33 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' OD1' ' A' ' 62' ' ' ASP . 11.4 t -71.04 130.81 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -94.1 -16.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 63.4 t80 177.2 166.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.687 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.6 mm -132.05 121.62 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -56.75 138.79 52.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -80.35 118.99 22.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.03 63.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -64.66 -179.0 6.6 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -31.37 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -71.99 -17.83 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -98.37 -58.66 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 24.8 mt -49.05 -50.85 34.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.2 p -41.5 -47.06 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.79 -17.02 58.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.97 -66.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.18 124.7 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -143.14 143.61 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.486 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.8 ttm180 -50.07 131.59 23.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 100.8 25.43 8.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.853 ' OD1' HG23 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -93.76 163.62 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 62.1 ttt180 -114.33 87.08 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.892 HD13 ' HB2' ' A' ' 95' ' ' ALA . 17.8 mm -51.76 132.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.58 HD11 ' OE1' ' A' ' 96' ' ' GLN . 33.1 mt -113.53 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.5 p -155.21 166.14 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -129.8 133.78 64.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.5 t-20 38.8 30.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 85.39 45.64 5.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' VAL . 88.1 t -118.15 112.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -67.82 107.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 8.0 mt -131.1 20.36 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -42.58 -31.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.9 72.97 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.48 179.31 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.1 p -92.8 157.93 16.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 4.7 t-160 -48.79 -49.35 39.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.9 -54.71 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.35 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.02 -44.04 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.76 -31.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.722 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -66.79 -58.67 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.3 mm? -56.51 -18.01 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 -39.1 20.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -82.67 -8.39 59.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -64.5 -136.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -178.57 -143.41 5.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 6.1 tt0 -71.64 -52.72 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 97.71 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.679 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 4.7 t -112.06 132.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ASN . 54.7 m -101.12 99.6 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 21' ' ' LEU . 5.4 mp -91.82 121.62 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.96 100.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.892 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -133.27 152.03 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.58 ' OE1' HD11 ' A' ' 65' ' ' LEU . 17.8 pt20 -116.5 124.95 51.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.57 150.67 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.84 86.5 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.88 6.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.17 -54.57 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 4.0 mm-40 -64.65 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -43.23 -33.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -50.84 -30.08 13.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -61.19 -27.6 68.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -89.97 -45.55 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -41.4 -60.14 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -55.47 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -59.69 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 56.04 162.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.57 8.73 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 t -70.46 102.09 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -130.81 -58.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.26 137.77 3.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -117.22 127.53 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.047 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.92 -86.21 0.24 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.29 134.55 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.25 117.31 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.63 93.24 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.85 129.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 71.59 4.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.26 -146.86 39.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . 178.45 -127.82 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 39.15 79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.43 70.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' GLU . 7.3 mmt85 -117.64 -59.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -46.59 174.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.03 133.28 16.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -110.09 141.51 42.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttpt -73.75 108.2 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.702 HG22 ' HG ' ' A' ' 21' ' ' LEU . 3.3 mt -104.47 90.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.538 HG13 HG23 ' A' ' 92' ' ' THR . 3.3 mt -81.29 98.38 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.745 HD11 HD12 ' A' ' 58' ' ' LEU . 63.9 mt -98.92 142.97 29.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' LYS . 97.9 m-70 -109.32 100.57 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' HIS . 10.0 mtmt -38.17 114.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.98 -72.03 0.7 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -56.43 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -158.1 25.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -151.28 161.36 29.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.764 ' CD1' HD12 ' A' ' 84' ' ' LEU . 77.4 mt -93.29 -9.35 39.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 79.04 42.9 11.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CD2' HD13 ' A' ' 58' ' ' LEU . 1.2 p90 -177.54 146.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.72 176.99 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.48 159.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.5 m -139.92 177.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 -171.83 25.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.5 6.89 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -118.12 117.7 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 55.75 39.54 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.32 55.86 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -86.97 -31.48 20.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.82 -168.85 22.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.6 mm -131.13 149.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 62.2 m-85 -151.08 148.75 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' ' 58' ' ' LEU . 47.7 t -64.17 139.16 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -103.1 -38.8 7.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.7 t80 -158.23 165.34 35.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.486 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -135.65 121.57 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -63.79 151.31 42.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.99 108.98 21.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.76 -10.22 32.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.19 -175.26 21.0 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.99 -31.97 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.06 -33.69 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -87.44 -57.81 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.8 mt -46.23 -58.58 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -46.16 -43.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.9 24.98 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.6 mm-40 -106.21 -48.85 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.745 HD12 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.5 138.38 35.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.89 150.13 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.07 113.22 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.22 5.31 9.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.28 127.68 37.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 20.3 ttt180 -79.58 118.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.969 HD13 ' HB2' ' A' ' 95' ' ' ALA . 8.3 mm -73.46 106.76 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.5 mm? -76.71 -55.42 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 12.8 p -146.65 157.44 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.1 t -128.04 138.22 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.5 t-20 39.64 29.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 77.78 55.84 4.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -132.17 144.46 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -88.69 109.96 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.751 ' HG ' HG13 ' A' ' 70' ' ' VAL . 10.8 mt -123.62 -0.21 8.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtp180 -37.12 -37.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -136.41 49.33 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -110.58 162.25 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 45.6 p -80.95 164.85 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.08 -39.16 66.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.75 -56.0 16.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -54.1 -39.59 66.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 72' ' ' LEU . . . -68.67 -28.68 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -80.48 -45.69 17.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.98 -24.51 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -74.69 -22.19 58.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.764 HD12 ' CD1' ' A' ' 28' ' ' LEU . 1.7 mm? -95.82 -23.84 16.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -25.27 24.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 -8.0 49.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.69 -143.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -165.17 -154.16 7.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.5 mt-30 -59.04 -51.92 67.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 99.17 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.606 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.6 t -108.66 137.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.538 HG23 HG13 ' A' ' 20' ' ' ILE . 52.6 m -104.64 100.57 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.88 109.81 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 18' ' ' LYS . 41.6 t -97.13 100.93 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.969 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.2 152.25 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.487 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -111.26 130.84 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.66 97.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.87 82.6 49.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.46 17.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.96 -44.82 95.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.6 mm-40 -71.85 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 74.8 t80 -42.78 -33.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 t -50.75 -27.59 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.36 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 29.7 m-85 -86.3 -39.98 15.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -44.99 -53.47 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.53 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.8 121.26 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.76 -140.33 11.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 95.24 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -83.0 137.98 33.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' SER . 19.0 p 39.35 84.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -123.84 171.85 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.66 170.16 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -140.75 13.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t 75.4 -57.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -46.37 135.63 7.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.97 -165.12 18.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER 66.05 140.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 18.2 Cg_endo -75.04 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.54 157.43 26.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.23 -118.58 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER 40.62 83.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.57 69.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -117.1 -40.43 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.7 mt-10 -67.09 173.78 2.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.04 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -100.78 155.32 17.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -87.0 103.81 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.0 mt -105.05 115.0 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.813 HG13 HG23 ' A' ' 92' ' ' THR . 5.0 mt -102.15 102.22 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.986 HD21 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -94.94 136.55 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -101.9 103.5 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 3.9 mttm -44.79 113.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 -40.82 10.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.75 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -74.85 -46.24 37.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 -137.29 4.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mm? -92.46 -11.98 33.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.22 35.43 23.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.5 p90 -161.89 143.56 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -95.37 175.6 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pt -144.09 153.27 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 105' ' ' PHE . 1.7 m -144.08 160.65 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.97 -167.05 12.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.17 42.6 2.03 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.01 123.58 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.81 19.13 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.24 49.27 77.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -81.82 -19.17 41.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.21 18.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.7 mm -108.8 161.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 71.5 m-85 -157.33 146.57 20.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.765 HG21 HD21 ' A' ' 58' ' ' LEU . 53.3 t -68.51 134.63 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.463 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.31 -32.41 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 49.1 t80 -165.66 167.32 17.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -135.3 121.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.5 tp -61.24 151.26 32.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.88 110.51 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 110.16 -13.89 31.15 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -69.27 -174.54 11.02 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.99 -34.3 3.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -70.79 -7.9 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.0 -52.18 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 82.6 mt -60.04 -52.56 64.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 87.6 p -38.33 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . 91.62 4.19 68.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.4 mm-40 -121.86 -172.55 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER 61.13 135.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' GLY . 13.9 mtt180 -146.69 146.55 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 106' ' ' GLU . 48.8 ttt180 -58.15 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . 139.75 43.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -123.41 126.59 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 12.8 ttt180 -75.01 113.15 11.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.98 HD13 ' HB2' ' A' ' 95' ' ' ALA . 30.8 mm -68.17 112.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.2 mm? -80.65 -50.96 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 26.9 p -155.69 169.25 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.917 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -128.85 123.75 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 48.89 22.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 92.93 42.97 4.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 67' ' ' VAL . 57.8 t -117.34 115.35 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -67.3 107.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD12 HG12 ' A' ' 67' ' ' VAL . 75.8 mt -120.45 5.14 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' LEU . 25.7 mtp180 -37.96 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' LEU . 20.4 m-20 -140.13 67.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.67 156.68 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -77.62 172.47 13.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -56.55 -56.21 24.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ALA . 3.5 tt0 -50.15 -58.6 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -47.3 -39.99 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.55 -35.61 79.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -75.71 -53.06 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.89 -22.78 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.869 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -74.64 -32.57 62.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.9 mm? -83.34 -15.99 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -25.29 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.74 -9.16 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.689 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -72.43 -140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.21 -131.55 1.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -83.03 -52.68 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 95.1 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.689 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 5.3 t -113.15 135.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.813 HG23 HG13 ' A' ' 20' ' ' ILE . 26.1 m -103.39 99.79 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 HD23 ' A' ' 21' ' ' LEU . 4.9 mp -93.65 108.73 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 16' ' ' PRO . 14.8 t -93.87 101.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.98 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -128.17 147.9 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -111.79 127.43 55.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.79 84.41 63.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.09 9.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.64 -35.32 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -84.83 -49.07 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CD2' ' HG2' ' A' ' 106' ' ' GLU . 60.8 t80 -56.26 -16.88 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 -50.8 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -45.87 -54.3 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 33' ' ' VAL . 34.3 m-85 -65.2 -42.03 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.543 ' HG2' ' CD2' ' A' ' 102' ' ' TYR . 3.6 mm-40 -42.07 -55.32 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -59.57 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.0 m -66.48 115.55 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -118.36 157.89 15.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.46 16.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.93 83.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.064 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -112.12 172.47 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -166.59 107.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.05 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -124.6 169.3 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.37 19.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.74 158.98 39.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -175.14 148.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.8 179.59 46.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.15 136.09 20.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -172.35 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.44 141.63 3.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.94 156.23 6.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 7.4 m-20 -102.86 22.94 12.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 68.1 71.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -138.71 -48.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.4 mt-10 -78.52 173.88 6.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.07 156.83 42.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.59 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -143.0 -179.3 6.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HG21 ' A' ' 92' ' ' THR . 10.2 ttmt -107.31 118.89 37.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 21' ' ' LEU . 8.2 mt -121.72 108.23 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.91 HG13 HG23 ' A' ' 92' ' ' THR . 1.7 mt -90.86 101.6 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.841 HD21 HD12 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.64 135.94 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' LYS . 27.2 m-70 -109.54 93.39 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.3 mtmt -37.14 109.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.59 -70.91 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.47 75.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p 46.3 29.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -155.95 151.68 23.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 27.4 mt -84.01 -9.21 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.28 30.49 30.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.7 p90 -167.63 143.7 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 1.1 t-20 -95.81 176.25 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.6 pt -136.9 154.25 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -141.36 177.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.44 -165.98 13.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.97 27.37 5.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.79 119.03 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 41.11 32.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 55.98 51.71 53.7 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -10.07 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.23 151.05 21.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -93.84 135.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 m-85 -133.46 166.97 21.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.59 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 39.8 t -85.12 127.37 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -84.73 -34.33 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 64.3 t80 -163.54 166.6 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -133.9 126.34 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -69.47 139.41 53.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -87.35 106.56 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.92 -12.54 17.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -75.75 -173.09 33.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.95 -34.79 3.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.68 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -68.33 -16.46 63.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.92 -53.95 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 39.5 mt -54.14 -53.78 48.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 93.7 p -38.02 -33.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 71.14 30.76 67.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 1.8 mm-40 -127.6 -64.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -56.11 146.78 21.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 10.2 mtt85 -145.77 152.19 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.2 ttp-105 -71.79 95.83 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 147.22 -23.24 1.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 160.31 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -112.64 112.07 23.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 95' ' ' ALA . 20.9 mm -61.51 134.41 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.3 mt -112.1 -54.69 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -135.6 159.58 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.902 HG11 ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -119.86 102.84 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.34 -39.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 67' ' ' VAL . . . 179.64 -27.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.502 HG22 ' H ' ' A' ' 67' ' ' VAL . 4.4 m -53.08 -170.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.7 t30 -130.72 116.59 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 ' HB ' ' A' ' 67' ' ' VAL . 10.0 mt -128.9 40.33 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -68.19 -33.16 73.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 4.5 m-20 -146.06 25.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.72 161.65 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -80.8 153.35 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -43.26 -47.35 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.43 -56.56 17.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -49.02 -47.6 44.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' HD22 ' A' ' 84' ' ' LEU . . . -62.12 -35.24 78.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.66 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.45 -19.47 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.902 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -81.94 -29.38 32.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 80' ' ' ALA . 1.6 mm? -82.76 -18.96 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -28.54 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' NH2' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -93.85 -7.58 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB1' HG21 ' A' ' 91' ' ' VAL . . . -80.11 117.61 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.24 -133.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 5.7 mt-30 -89.83 -52.74 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.21 96.47 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 1.031 HG21 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -114.33 136.25 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.91 HG23 HG13 ' A' ' 20' ' ' ILE . 3.1 m -94.19 100.67 12.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -91.94 113.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 17' ' ' ARG . 84.8 t -99.65 101.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -121.62 164.44 17.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.6 pt20 -127.32 120.95 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -53.66 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -128.45 82.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.2 Cg_endo -74.98 -38.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -49.68 -22.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.62 -43.72 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 71.8 t80 -70.74 -20.94 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -40.31 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.64 -54.01 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.84 -41.57 95.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.558 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.2 mm-40 -43.48 -51.38 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 t -51.38 -56.62 12.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.97 99.33 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.37 176.33 16.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.11 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -82.26 107.72 15.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 p -158.89 169.42 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.99 141.49 26.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -131.3 175.24 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' HG22 ' A' ' 94' ' ' VAL . 2.5 mttt -100.49 137.59 38.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.645 HG21 ' HB2' ' A' ' 58' ' ' LEU . 5.4 mt -136.21 89.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 92' ' ' THR . 2.9 mt -82.06 106.25 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 58' ' ' LEU . 35.2 mt -105.23 135.41 46.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -95.76 104.83 16.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -42.78 111.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 -43.77 8.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.2 p 177.18 -64.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -63.63 -35.97 82.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.31 -141.45 7.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -91.82 -9.94 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 84.58 38.5 9.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.0 p90 -164.27 144.92 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.16 175.78 6.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 pt -143.7 153.12 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.4 m -139.11 177.2 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.11 -165.41 17.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.06 21.17 8.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 38' ' ' GLY . 5.9 mt-10 -113.66 122.28 46.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 40.94 32.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.4 49.0 58.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -21.01 60.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.49 146.45 8.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 5.5 mm -86.79 154.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 33' ' ' VAL . 60.5 m-85 -156.36 142.01 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 58' ' ' LEU . 68.3 t -64.07 136.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.495 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.0 -32.88 11.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 48.8 t80 -162.84 161.8 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.817 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -132.63 117.83 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.2 tp -54.27 152.87 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.19 110.27 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.98 -10.88 40.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.97 -177.87 12.84 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -29.57 8.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.64 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.94 -56.28 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 25.6 mt -50.75 -56.25 12.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 92.1 p -40.76 -30.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 66.44 40.19 94.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' ILE . 17.3 mm-40 -130.09 -65.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.817 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -62.59 137.03 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -140.2 150.56 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.52 123.95 20.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.07 -18.16 14.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.79 162.76 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 51.1 ttt180 -116.32 104.5 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 4.7 mm -60.3 130.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 16' ' ' PRO . 40.7 mt -108.51 -53.32 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.4 p -145.12 159.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.4 t -126.71 108.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.2 t-20 79.47 -56.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.32 38.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 66' ' ' SER . 99.4 t -121.35 129.69 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.74 99.55 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.52 14.58 30.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -43.47 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.88 57.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.33 153.09 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -71.34 172.92 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -58.64 -54.42 47.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.5 tt0 -51.85 -56.48 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -48.01 -50.0 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.84 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.97 -44.71 9.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -27.87 53.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.1 -17.78 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 28' ' ' LEU . 46.7 mt -96.2 -24.77 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -82.43 -22.78 35.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.97 -11.06 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.786 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.84 -142.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.25 -132.68 1.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.4 -52.16 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.32 92.47 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.786 HG22 ' HB1' ' A' ' 87' ' ' ALA . 21.2 t -100.43 127.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.437 HG23 HG13 ' A' ' 20' ' ' ILE . 87.4 m -94.87 101.77 13.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -95.57 105.74 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 18' ' ' LYS . 96.8 t -91.8 101.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.18 161.47 26.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 5.3 pt20 -128.05 119.08 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.13 95.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 84.31 58.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.42 13.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.59 -35.66 72.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' SER . 3.5 mm-40 -81.46 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 77.7 t80 -43.07 -25.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' GLU . 28.0 t -38.78 -50.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.53 -54.26 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 144.53 30.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.12 137.91 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.86 110.52 10.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 21' ' ' LEU . 7.0 mt -113.27 120.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 HG23 ' A' ' 92' ' ' THR . 4.3 mt -112.28 104.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.703 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.2 mm? -95.19 142.41 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 35.4 m80 -102.87 99.7 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.5 mtmt -40.08 112.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.18 -55.36 5.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.19 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -61.68 -43.5 98.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.58 -140.33 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 21' ' ' LEU . 12.7 mt -93.9 -8.95 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . 85.95 26.07 35.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.8 p90 -166.09 145.95 6.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.772 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.45 174.96 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.32 159.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -146.9 172.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.6 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.11 39.25 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' GLY . 1.4 mm-40 -131.26 123.72 29.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 45.94 27.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 54.2 57.92 14.95 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -85.83 -31.61 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.3 164.95 10.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ILE . 5.5 mm -108.43 142.19 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 47.1 m-85 -140.79 167.62 21.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 41.9 t -85.66 137.46 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.546 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.68 -31.42 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 54.4 t80 -167.15 168.09 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.84 116.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 48' ' ' ALA . 3.3 tm? -58.84 144.31 44.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.728 ' N ' HD13 ' A' ' 47' ' ' LEU . . . -91.29 110.17 21.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.59 -13.22 27.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.93 -175.66 24.94 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.2 Cg_endo -75.0 -33.41 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -67.31 -30.16 69.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -91.21 -56.6 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 20.4 mt -49.01 -57.61 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 67.0 m -43.89 -30.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.37 14.07 71.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.0 -75.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.55 146.5 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' H ' HD23 ' A' ' 58' ' ' LEU . 4.0 mtt85 -141.12 164.0 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' ILE . 5.3 ttt180 -80.74 102.65 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.22 -25.55 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.405 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -47.63 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 60.5 ttt180 -121.05 102.76 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 ' HB2' ' A' ' 95' ' ' ALA . 48.7 mm -57.29 130.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.5 mt -111.43 -49.15 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 9.7 p -145.49 157.62 43.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.71 126.18 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.8 t-20 52.74 28.75 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.29 37.84 23.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 66' ' ' SER . 93.1 t -116.13 128.02 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.45 117.98 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.4 15.86 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -45.29 -42.01 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -131.34 52.84 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.06 156.3 18.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -75.69 165.98 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -51.21 -54.95 20.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.582 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.1 tt0 -52.81 -55.83 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -50.71 -36.56 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.4 -23.16 61.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.41 -47.33 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.17 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.29 -19.45 42.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 91' ' ' VAL . 54.0 mt -97.13 -27.57 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -18.56 57.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -19.81 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.751 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.79 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -171.38 -141.65 3.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -51.59 63.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.01 100.27 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.751 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -110.2 126.36 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' HE2' ' A' ' 18' ' ' LYS . 28.4 m -94.24 100.82 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.701 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -101.0 111.44 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.04 100.72 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.928 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.25 157.97 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -122.26 130.66 53.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -58.42 96.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.86 83.84 33.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.82 -48.29 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.8 mm-40 -67.76 -59.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 63.2 t80 -42.51 -34.99 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -49.65 -28.25 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -63.71 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.627 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.01 167.0 28.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -153.85 131.64 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -73.74 110.02 7.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 HD22 ' A' ' 21' ' ' LEU . 3.4 mt -110.18 139.98 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG13 HG23 ' A' ' 92' ' ' THR . 3.8 mt -124.35 105.07 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 93' ' ' ILE . 2.4 mm? -96.86 147.15 24.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' LYS . 16.3 m-70 -112.65 105.07 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' HIS . 4.3 mttm -39.98 111.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.73 -48.94 25.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.81 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -92.19 -42.88 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.01 -146.53 8.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -83.77 -8.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 75.26 46.41 15.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.6 p90 -169.86 148.56 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.03 171.33 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.2 pt -138.32 155.3 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -140.38 177.23 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.22 -174.46 23.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.44 47.29 0.87 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 16.5 mt-10 -140.41 120.88 14.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t0 46.47 37.97 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.58 56.44 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 1.3 pt-20 -85.02 -29.74 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.18 -172.48 17.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 6.0 mm -128.36 144.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' CE1' ' NH2' ' A' ' 104' ' ' ARG . 30.0 m-85 -146.38 144.5 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.562 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.5 t -62.09 140.55 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.573 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -103.33 -18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 79.1 t80 178.77 165.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.3 mm -131.68 122.01 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -57.93 139.0 55.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.647 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.38 112.55 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.77 53.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.55 -175.18 9.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' C ' HD12 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.96 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.74 -18.37 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -57.1 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 12.5 mt -48.02 -45.52 32.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -56.05 -42.63 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.23 -20.48 29.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.64 -65.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 43' ' ' VAL . 1.1 tp -64.59 124.37 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.98 150.25 44.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 14.8 ttp-105 -54.0 125.31 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 118.64 -33.48 4.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.53 153.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 57.3 ttt180 -112.65 102.29 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 95' ' ' ALA . 50.6 mm -56.93 128.3 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 16' ' ' PRO . 35.0 mt -110.16 -41.1 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 36.1 p -156.57 151.54 26.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.832 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.18 130.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 52.28 19.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 86.45 45.07 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.832 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -119.2 147.43 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -89.69 109.99 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.73 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.5 mt -123.05 4.43 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.4 mtp180 -37.8 -42.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -133.04 49.41 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -106.79 155.64 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 p -78.41 156.06 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -40.36 -56.21 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.2 tt0 -51.12 -58.42 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -46.47 -45.99 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.82 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -77.69 -46.4 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 -27.42 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.63 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 28' ' ' LEU . 1.7 mm? -84.92 -21.09 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -90.04 -9.45 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.851 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -69.05 -141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.05 -136.33 2.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -74.42 -51.22 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.42 96.87 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.851 HG22 ' HB1' ' A' ' 87' ' ' ALA . 16.5 t -106.17 130.43 57.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.632 HG23 HG13 ' A' ' 20' ' ' ILE . 17.0 m -97.3 100.72 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.815 HD13 HD23 ' A' ' 21' ' ' LEU . 5.0 mp -99.69 115.26 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 18' ' ' LYS . 58.5 t -102.59 101.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.56 166.08 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.84 127.08 45.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.53 97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -134.34 82.8 45.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -26.99 10.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.28 -57.38 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.491 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.3 mm-40 -57.99 -58.92 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 85.6 t80 -54.7 -20.55 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 100' ' ' GLU . 5.6 t -48.73 -32.14 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.598 ' NH2' ' CE1' ' A' ' 42' ' ' PHE . 5.3 ptt85 -62.54 -34.45 76.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 33' ' ' VAL . 12.8 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.6 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.605 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 150.03 37.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' CG ' HD11 ' A' ' 19' ' ' ILE . 1.3 ptm180 -135.3 137.0 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HA ' HG22 ' A' ' 94' ' ' VAL . 2.1 tttp -73.67 110.25 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.629 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.1 mt -113.33 110.81 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 4.3 mt -102.04 106.13 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 58' ' ' LEU . 1.4 mm? -95.58 142.63 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 6.8 m170 -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' HD13 ' A' ' 28' ' ' LEU . 6.9 mttm -39.73 118.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.6 -40.49 6.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.66 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -68.36 -54.39 17.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.44 -134.85 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.13 -9.53 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.24 36.34 18.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 p90 -162.4 146.44 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.33 170.37 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.439 HD12 ' HD2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -135.27 151.69 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -139.84 174.55 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 -168.14 15.0 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 34.34 3.28 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -127.97 121.35 29.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 44.72 38.55 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.29 60.8 3.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.1 pt-20 -88.98 -30.32 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 133.58 172.55 12.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -115.89 138.0 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 89.9 m-85 -133.86 162.3 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 37.4 t -81.93 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.535 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -88.04 -32.34 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.3 t80 -168.61 165.84 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.717 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -129.96 116.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -54.93 151.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -97.16 108.95 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.07 -11.89 29.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.24 -174.61 19.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.96 -33.62 4.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.97 65.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -57.7 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 18.9 mt -49.2 -56.38 9.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 58.6 m -40.45 -50.13 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.5 -12.44 68.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.51 -74.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -50.63 145.15 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.483 ' H ' HD23 ' A' ' 58' ' ' LEU . 9.2 mtt180 -145.28 151.73 38.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -68.6 115.48 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.71 -26.19 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.19 173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 0.743 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.6 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -127.73 103.91 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.749 HD13 ' HB2' ' A' ' 95' ' ' ALA . 9.5 mm -59.29 129.58 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.0 mt -109.43 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.6 p -144.97 153.2 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.799 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.28 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . 15.3 t-20 39.63 29.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.88 56.96 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -133.19 147.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -89.77 110.72 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.736 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.9 mt -123.5 3.14 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' LEU . 21.7 mtp180 -38.5 -41.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -129.57 52.12 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -110.36 163.67 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -87.6 162.55 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HD2' HD12 ' A' ' 32' ' ' ILE . 17.8 t-160 -49.4 -42.83 43.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.0 tt0 -63.8 -51.87 62.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -51.03 -48.91 61.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.38 66.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.36 -43.06 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.64 71.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -72.41 -15.08 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 28' ' ' LEU . 48.1 mt -95.03 -29.56 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -16.39 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -91.26 -19.08 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.05 -142.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.04 -128.3 0.99 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -84.24 -39.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -108.49 97.97 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.907 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.7 t -109.11 139.77 30.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.2 m -103.7 100.58 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.783 HG13 HG22 ' A' ' 67' ' ' VAL . 3.2 mp -99.82 114.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 18' ' ' LYS . 66.1 t -103.56 100.53 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.53 156.29 39.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -117.92 131.33 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.78 93.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.92 83.43 56.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.01 13.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.558 1.82 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.6 -51.56 69.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.9 mm-40 -65.35 -60.54 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 64.9 t80 -42.73 -32.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -51.99 -28.04 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.06 -29.1 70.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 43.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 154.18 42.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -143.88 179.04 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -106.01 128.67 53.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 58' ' ' LEU . 7.1 mt -130.01 112.14 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.24 108.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.943 HD11 HD23 ' A' ' 58' ' ' LEU . 34.0 mt -106.98 128.88 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' LYS . 31.9 m-70 -89.6 107.17 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.1 mtmt -38.27 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 -54.61 1.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.5 OUTLIER -165.16 157.08 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 25' ' ' SER . 69.1 p 47.51 23.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' SER . . . 105.24 -144.44 15.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.0 mm? -77.62 -7.53 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' CA ' ' HB3' ' A' ' 47' ' ' LEU . . . 84.26 43.14 7.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.4 p90 -170.23 148.24 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.99 169.16 9.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -140.29 160.79 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.2 m -145.85 177.02 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.9 -177.84 26.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.29 41.25 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -134.28 123.41 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 44.5 30.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.32 58.34 12.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.4 pt-20 -85.41 -31.96 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 130.95 164.41 11.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.9 mm -108.64 147.78 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 25.6 m-85 -149.92 163.49 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 t -86.94 136.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.78 -13.03 19.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.5 t80 177.93 166.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.5 mm -132.39 121.1 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -54.01 139.48 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.606 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -83.05 118.87 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.28 -12.82 67.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.58 -179.08 13.55 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.01 -30.97 6.58 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.85 -21.67 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.33 -56.24 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.0 mt -48.51 -55.83 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.3 m -40.01 -41.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.21 9.12 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.21 -55.46 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.943 HD23 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -74.17 123.72 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -135.38 147.62 49.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 9.5 ttm180 -54.01 122.48 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 112.76 0.19 25.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.44 116.71 18.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 35.2 ttt180 -74.02 109.57 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.759 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.3 mm -68.31 134.98 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 16' ' ' PRO . 38.7 mt -112.5 -52.99 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.5 p -145.58 152.05 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.4 t -127.81 140.13 49.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 40.1 28.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.93 56.3 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -132.0 147.23 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.14 110.43 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.737 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.2 mt -122.39 3.84 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -38.08 -40.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -132.72 52.45 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -112.06 153.05 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 p -78.66 160.73 27.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -42.21 -57.52 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -50.91 -58.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -46.34 -45.55 17.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -62.85 -39.92 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.12 67.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -24.14 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -74.0 -18.59 60.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 91' ' ' VAL . 1.8 mm? -96.65 -28.09 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -16.61 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -94.36 -18.44 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.18 -144.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.52 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -170.61 -147.91 5.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -55.52 -51.59 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.33 104.87 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.679 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.7 t -113.24 136.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.479 HG21 ' HE2' ' A' ' 18' ' ' LYS . 18.9 m -105.33 101.19 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.575 HG13 HG22 ' A' ' 67' ' ' VAL . 5.2 mp -101.71 108.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 17' ' ' ARG . 59.4 t -94.44 101.39 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.3 162.8 23.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.26 114.6 21.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.32 95.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -135.78 87.07 26.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.4 7.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.407 ' O ' ' OG ' ' A' ' 103' ' ' SER . 3.2 mt-10 -53.89 -32.79 54.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.9 mm-40 -86.2 -51.83 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.506 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -51.12 -28.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 100' ' ' GLU . 60.8 p -55.34 -27.93 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -63.5 -25.31 68.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 14.3 m-85 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.0 mt-10 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.0 135.05 18.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.598 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -118.4 134.57 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' HG21 ' A' ' 92' ' ' THR . 4.4 ttpt -74.31 107.63 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.654 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.5 mt -109.71 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.502 HG13 HG23 ' A' ' 92' ' ' THR . 4.0 mt -101.07 114.03 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.722 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 mm? -105.59 144.24 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -100.05 102.14 13.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -46.44 113.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.52 -48.99 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 -62.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -63.27 -54.91 29.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -139.14 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.722 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.4 mm? -91.56 -10.12 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.01 10.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -162.35 144.61 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.03 176.29 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.91 151.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.0 m -134.1 177.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -159.42 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.81 33.86 6.21 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' ' N ' ' A' ' 38' ' ' GLY . 2.9 mt-10 -126.66 119.42 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 43.82 28.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.9 60.31 8.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.46 -31.68 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.28 142.62 5.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.8 mm -85.86 154.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 67.7 m-85 -155.78 152.28 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 61.4 t -70.78 136.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.494 ' HB3' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -101.57 -35.61 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 36.2 t80 -161.36 164.35 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -133.26 122.03 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.5 tp -58.93 152.81 18.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.54 110.95 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.36 -14.14 36.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.04 -178.15 13.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.94 -33.17 4.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.64 -25.18 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.58 -57.32 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.9 mt -48.55 -55.72 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -40.38 -44.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 -2.06 86.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.13 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -72.65 142.97 48.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -169.19 166.23 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -58.59 116.01 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.36 33.11 1.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.51 151.12 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.664 ' NH1' HD23 ' A' ' 65' ' ' LEU . 46.7 ttt-85 -114.17 99.8 7.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.002 HD13 ' HB2' ' A' ' 95' ' ' ALA . 41.1 mm -57.67 129.27 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD23 ' NH1' ' A' ' 63' ' ' ARG . 17.9 mt -110.34 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 4.3 p -142.86 156.12 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 93' ' ' ILE . 2.6 t -127.48 115.86 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 63.48 31.9 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.97 43.4 27.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 66' ' ' SER . 98.0 t -123.83 125.46 71.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -67.57 113.25 5.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 20.0 mt -130.88 14.3 5.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -44.66 -69.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.45 39.83 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -97.03 147.86 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.4 p -65.71 174.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.829 ' OE1' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -61.92 -60.74 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -45.22 -25.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.12 -40.37 19.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -74.17 -48.12 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB2' ' OE1' ' A' ' 78' ' ' GLU . . . -53.55 -28.12 29.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -68.85 -15.79 63.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 28' ' ' LEU . 2.0 mm? -97.02 -18.07 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -24.85 23.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.34 -7.99 46.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.779 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -73.45 -141.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -168.7 -140.18 2.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -51.51 20.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.99 96.82 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.779 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.3 t -108.81 124.29 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG13 ' A' ' 20' ' ' ILE . 29.3 m -91.69 100.94 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.89 104.88 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.58 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.002 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -124.89 141.65 51.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' HD11 ' A' ' 65' ' ' LEU . 3.5 pt20 -106.75 123.9 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -57.14 100.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -119.88 89.42 42.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.69 19.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.2 -33.04 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.4 mm-40 -85.71 -68.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 22.1 t80 -36.75 -33.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . 71.8 p -46.29 -43.62 15.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 31.5 mtt-85 -49.73 -37.45 29.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.429 1.752 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.599 ' CG ' HD11 ' A' ' 19' ' ' ILE . 3.9 ptm180 -100.81 145.71 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.556 ' CE ' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -79.34 111.7 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.599 HD11 ' CG ' ' A' ' 17' ' ' ARG . 3.1 mt -114.31 131.4 66.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.6 103.16 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 93' ' ' ILE . 1.4 mm? -98.87 137.61 37.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -102.7 104.12 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.35 112.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.61 -57.41 1.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -55.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 47' ' ' LEU . 6.3 p -89.17 57.01 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.24 -136.48 32.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 21' ' ' LEU . 1.9 mm? -91.94 -9.14 44.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 81.98 44.85 7.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -169.53 143.36 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.1 t-20 -95.0 174.67 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -143.79 152.87 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -141.77 172.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.25 -154.61 19.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 86.79 2.5 84.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 1.6 mm-40 -86.25 101.14 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 4.5 m-20 82.67 -49.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.9 43.26 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.24 -18.78 41.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.76 171.48 13.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.3 mm -114.66 149.21 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 43.4 m-85 -150.34 149.0 29.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 19.8 t -67.77 138.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.528 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -99.82 -17.43 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 45.3 t80 178.23 162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 ' HG ' ' A' ' 58' ' ' LEU . 1.1 mt -132.86 115.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' OG1' ' A' ' 26' ' ' THR . 5.3 tp -48.76 153.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.53 111.77 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.9 54.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -65.72 178.73 11.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -32.66 5.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -73.86 -15.2 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD2' HG22 ' A' ' 46' ' ' ILE . 1.7 t70 -101.54 -50.77 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.7 mt -54.98 -50.33 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.3 m -40.36 -49.35 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.29 -7.87 69.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mt-10 -89.83 -59.6 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 46' ' ' ILE . 4.2 tp -67.19 129.05 38.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' NE ' ' CE1' ' A' ' 97' ' ' TYR . 1.2 ppt_? -137.2 159.04 43.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.48 ' O ' ' CZ ' ' A' ' 59' ' ' ARG . 11.5 ttt180 -70.51 102.6 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 59' ' ' ARG . . . 135.04 -10.39 4.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.09 148.47 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 65' ' ' LEU . 45.5 ttt180 -97.97 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 95' ' ' ALA . 4.7 mm -68.58 98.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.0 mm? -72.3 -55.93 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -145.44 157.73 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.0 t -127.79 137.78 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 39.78 28.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 78.18 56.83 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -133.18 143.01 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -88.63 109.96 20.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HG13 ' A' ' 70' ' ' VAL . 15.7 mt -121.16 -3.3 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LEU . 8.1 mtp180 -36.99 -35.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.28 49.46 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.43 146.68 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.455 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 61.1 p -64.57 178.62 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' N ' ' HA3' ' A' ' 35' ' ' GLY . 13.3 t-160 -64.61 -54.2 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.51 -40.95 79.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -63.66 -34.72 78.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.71 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.72 -42.97 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.33 -19.48 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -78.62 -17.29 56.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.6 mm? -96.2 -14.31 22.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -23.61 23.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -90.56 -14.59 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -63.51 -140.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.0 -148.43 7.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.76 -51.45 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.89 100.94 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.1 t -111.1 140.91 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.556 HG21 ' CE ' ' A' ' 18' ' ' LYS . 99.3 m -107.05 101.16 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 21' ' ' LEU . 3.6 mp -98.22 113.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.647 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -102.57 100.98 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.5 155.48 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.492 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -119.26 128.13 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE1' ' NE ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -59.96 94.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 88.41 52.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.65 18.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.12 -44.86 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.13 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 9.0 t80 -37.29 -36.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' TYR . 2.2 t -38.81 -41.85 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -52.27 -52.03 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 33' ' ' VAL . 56.5 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 156.67 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -141.33 -179.41 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD3' HD11 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -107.5 122.68 47.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.819 HG22 HD21 ' A' ' 21' ' ' LEU . 4.9 mt -126.0 107.92 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 ' HD3' ' A' ' 18' ' ' LYS . 6.6 mt -98.86 106.39 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.958 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 mm? -100.94 136.18 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -95.15 107.43 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.573 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -51.56 110.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.75 -66.08 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 -45.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -121.91 63.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.08 164.76 24.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 21' ' ' LEU . 29.3 mt -63.21 -71.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 150.91 49.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 10.4 p90 -172.55 152.51 2.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 2.9 t-20 -95.03 171.73 8.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 1.6 pt -140.79 153.98 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.8 m -140.06 174.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.05 -166.91 13.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.17 37.17 4.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.77 116.13 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 43.76 38.8 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 63.68 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -93.14 -29.56 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 131.01 -172.23 20.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' ILE . 6.6 mm -131.32 135.76 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 66.6 m-85 -138.66 156.58 47.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 40.1 t -76.49 136.66 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.476 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -101.01 -15.63 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 16.5 t80 -179.96 160.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.529 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -128.47 124.2 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' HA3' ' A' ' 50' ' ' GLY . 10.0 tp -53.04 156.17 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.29 123.4 36.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.73 -0.74 60.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -71.46 -174.02 18.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.96 -36.27 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -69.64 -23.27 63.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -56.55 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' SER . 15.2 mt -47.31 -56.85 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.1 p -38.69 -44.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.96 -16.76 45.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.06 -54.54 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.753 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -70.33 123.4 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 58' ' ' LEU . 2.6 mtt180 -137.85 150.62 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 31.1 ttp180 -66.64 104.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 143.77 -21.84 2.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.17 173.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -124.35 105.63 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' A' ' 95' ' ' ALA . 16.0 mm -62.2 122.82 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 25.6 mt -99.76 -54.41 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 5.1 p -138.15 160.17 40.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 70' ' ' VAL . 3.8 t -123.21 106.67 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 t-20 75.0 -55.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.16 35.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.678 HG13 ' HG ' ' A' ' 72' ' ' LEU . 9.5 p -116.48 143.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.05 103.05 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.6 mt -113.0 14.49 19.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -43.99 -38.49 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -138.96 50.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.53 166.59 10.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.2 p -73.38 173.77 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 32' ' ' ILE . 11.4 t-160 -66.62 -51.34 57.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.17 -37.82 81.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.9 -50.48 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.662 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -60.13 -24.12 64.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.2 -40.27 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.08 63.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -79.92 -19.82 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 HG11 ' A' ' 91' ' ' VAL . 40.3 mt -93.64 -21.58 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -21.78 31.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -12.38 28.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.9 -143.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.486 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -161.82 -144.77 4.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.89 -51.37 40.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.44 93.34 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.659 HG22 ' HB1' ' A' ' 87' ' ' ALA . 19.3 t -103.19 122.43 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.2 m -91.96 101.12 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -98.96 119.72 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ARG . 75.7 t -101.36 100.99 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -120.64 165.95 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -129.49 117.67 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 97.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.03 83.58 45.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.04 18.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.6 -28.78 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.6 mm-40 -87.87 -67.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 76.8 t80 -40.03 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . 13.1 t -38.63 -44.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -52.05 -52.94 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.2 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.689 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 140.34 25.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.8 ptm180 -122.74 136.24 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 112.53 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.2 mt -114.67 112.5 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 92' ' ' THR . 5.7 mt -98.23 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -94.6 136.96 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -103.3 99.41 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -42.15 112.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.15 -42.89 6.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.31 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 26' ' ' THR . 69.5 p -45.83 -31.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 -140.72 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 21' ' ' LEU . 19.3 mt -93.95 -8.96 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 28.25 26.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 2.4 p90 -167.23 144.42 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.33 176.3 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.35 155.3 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 42' ' ' PHE . 1.1 m -143.01 169.72 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.55 177.39 38.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 114.62 35.0 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.03 109.92 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.57 18.41 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.96 66.77 2.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -101.0 -22.83 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.62 171.53 13.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.3 mm -118.63 148.2 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.621 ' O ' HG22 ' A' ' 33' ' ' VAL . 33.4 m-85 -152.15 141.72 21.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -59.89 141.93 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.603 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.2 -32.53 10.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 35.6 t80 -164.15 166.78 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -134.33 124.58 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.0 tp -66.9 152.22 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.93 111.18 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.19 -12.93 40.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.87 -177.62 15.22 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -28.47 9.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -71.37 -40.59 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -58.25 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.7 mt -47.01 -53.32 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 14.3 p -39.65 -40.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.04 -6.73 61.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -88.87 -55.23 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -67.46 145.72 54.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' H ' HD23 ' A' ' 58' ' ' LEU . 6.9 mtt180 -149.43 156.63 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 46' ' ' ILE . 2.9 ttm180 -69.62 112.67 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 126.59 -23.4 5.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.24 153.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 43.5 ttt180 -108.92 105.22 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.2 mm -59.82 132.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 16' ' ' PRO . 34.0 mt -111.74 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 31.3 p -147.28 153.95 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.817 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.3 t -128.04 131.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 49.1 21.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 84.27 51.45 3.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.817 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -127.25 146.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -88.76 109.79 20.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.749 ' HG ' HG13 ' A' ' 70' ' ' VAL . 25.3 mt -119.02 -0.88 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' LEU . 3.2 mtp-105 -37.36 -40.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.52 51.43 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -114.98 152.81 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.446 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 14.1 p -76.53 166.6 23.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -52.76 -40.45 63.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ALA . 18.5 tt0 -65.46 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -47.4 -44.13 24.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.09 73.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -81.01 -30.96 34.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . . . -66.46 -25.1 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -75.08 -16.64 60.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.682 HD12 HD11 ' A' ' 28' ' ' LEU . 1.6 mm? -97.01 -29.22 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -78.15 -26.32 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -11.89 43.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.54 -143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.04 -126.05 0.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.54 -50.95 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.27 94.24 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.6 t -107.63 139.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 20' ' ' ILE . 23.1 m -101.71 100.64 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 67' ' ' VAL . 3.8 mp -97.79 111.01 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.29 100.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.559 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -123.98 158.19 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.8 pt20 -126.48 123.38 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.48 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.1 83.75 50.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -41.42 -53.28 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 3.1 mt-10 -67.59 -62.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.5 t80 -41.4 -35.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t -48.62 -29.71 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -62.16 -29.95 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptp85 -95.06 174.83 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 131.25 53.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.3 mt -132.55 136.87 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 20' ' ' ILE . 5.5 mt -120.26 95.48 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 93' ' ' ILE . 1.7 mm? -88.6 136.9 32.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -102.26 102.77 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.556 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -40.75 111.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.6 -60.09 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.31 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -75.12 -47.26 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 -133.4 2.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.5 mm? -93.97 -8.45 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.4 9.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.5 p90 -174.14 151.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -106.2 168.98 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.3 pt -133.48 157.29 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.1 m -139.79 177.6 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.6 -156.34 17.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.91 35.88 6.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.38 117.32 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 42.09 38.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.17 54.62 14.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 1.1 pp20? -80.92 -26.9 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 124.1 153.04 8.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.8 mm -100.38 142.46 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 38.4 m-85 -144.06 158.73 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 28.2 t -78.41 132.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.537 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -95.91 -26.81 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 50.6 t80 -167.41 161.7 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.1 mm -132.49 118.17 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.43 149.47 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.26 113.94 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.58 -8.67 62.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.31 -177.67 13.54 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.85 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -96.38 -56.42 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.4 mt -49.52 -55.27 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 51' ' ' PRO . 75.5 m -40.44 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.88 2.56 71.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mm-40 -95.09 -57.15 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 46' ' ' ILE . 2.6 tp -69.08 129.36 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -143.53 141.51 30.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 13.6 ttp-105 -51.24 119.27 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.4 -18.65 8.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.22 128.89 38.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 15.6 ttt180 -82.3 116.14 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.951 HD13 ' HB2' ' A' ' 95' ' ' ALA . 11.7 mm -72.0 103.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.6 mm? -71.84 -55.53 7.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 m -148.13 163.96 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 93' ' ' ILE . 2.2 t -127.51 138.77 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 40.23 33.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 74.67 47.96 14.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' VAL . 79.7 t -129.39 110.72 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -53.65 103.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 80' ' ' ALA . 14.8 mt -101.45 2.51 39.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -37.72 -70.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -100.17 41.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -100.14 142.5 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 p -76.59 162.88 27.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HD2' HD12 ' A' ' 32' ' ' ILE . 15.1 t-160 -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.61 -48.95 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -54.21 -40.87 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -66.18 -30.36 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.85 -45.55 18.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.77 -27.47 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.31 -19.29 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.74 -32.32 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -70.86 -18.1 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.67 -21.98 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -61.79 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.553 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -179.01 -146.78 6.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.79 -51.55 68.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.69 109.55 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.8 t -121.24 131.05 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 m -97.85 101.24 12.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.848 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -97.14 115.04 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 57.9 t -102.77 101.69 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.951 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.41 152.73 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.2 pt20 -111.8 127.04 55.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -125.29 82.4 62.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.07 17.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.38 -36.56 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.3 mm-40 -76.65 -68.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' SER . 32.3 t80 -38.73 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 28.2 t -38.74 -42.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -53.36 -53.19 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.865 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.4 Cg_endo -74.99 115.26 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HD11 ' A' ' 19' ' ' ILE . 1.9 ptm180 -91.7 140.93 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.627 ' HD3' HD11 ' A' ' 20' ' ' ILE . 15.2 ttmt -73.59 109.44 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 57' ' ' GLU . 7.5 mt -113.05 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.5 mt -87.33 107.73 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 58' ' ' LEU . 87.0 mt -105.08 141.07 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 30.4 m80 -100.95 102.39 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.653 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.4 mtmt -39.86 111.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.36 -44.69 21.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.06 -60.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.3 p -67.28 -51.75 48.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.1 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 ' CD2' HD22 ' A' ' 84' ' ' LEU . 2.4 mm? -90.33 -9.77 46.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.44 34.36 12.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' A' ' 28' ' ' LEU . 2.2 p90 -161.01 147.34 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.89 173.62 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.423 HG13 ' NE2' ' A' ' 77' ' ' HIS . 7.9 pt -143.19 150.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.3 m -136.5 176.8 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 -153.99 16.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 32.2 11.09 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 3.5 mt-10 -124.49 121.29 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 40.88 32.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 56.53 47.22 85.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -74.16 -24.38 59.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 119.86 166.41 13.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.5 mm -106.23 145.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 m-85 -147.33 155.26 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG21 ' CD2' ' A' ' 58' ' ' LEU . 50.6 t -74.27 134.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.54 -29.36 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.7 t80 -169.76 162.88 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -127.17 119.02 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.4 tp -57.31 151.95 15.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.47 111.4 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 109.73 -16.28 31.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.87 -176.16 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.96 -31.67 6.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -72.1 -9.56 58.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -110.91 -54.35 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 84.6 mt -58.33 -53.13 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 20.8 t -46.49 -25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 84.03 -8.25 67.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG23 ' A' ' 19' ' ' ILE . 3.1 mm-40 -97.88 178.11 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER 58.27 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.403 ' H ' HD23 ' A' ' 58' ' ' LEU . 8.9 ptt180 -176.18 158.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 ttt-85 -58.86 119.07 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.28 31.53 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 47.2 ttt-85 -66.68 119.76 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 95' ' ' ALA . 3.7 mm -75.8 98.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' A' ' 96' ' ' GLN . 4.0 mm? -70.39 -55.49 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -145.15 161.33 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 72' ' ' LEU . 2.5 t -127.47 108.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 64.43 37.36 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 38.84 50.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.8 116.38 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.5 115.11 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 67' ' ' VAL . 22.4 mt -128.56 15.23 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.4 mtp180 -39.24 -55.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -119.08 63.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.04 148.33 41.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -67.2 149.23 50.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.423 ' NE2' HG13 ' A' ' 32' ' ' ILE . 23.0 t-160 -42.91 -42.28 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 10.4 tt0 -63.02 -53.07 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -47.89 -49.77 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.16 63.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.68 -47.43 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -29.45 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.02 -15.31 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 28' ' ' LEU . 41.2 mt -93.03 -34.61 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -24.03 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -13.16 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.5 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.29 -150.45 7.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.08 -51.72 62.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.17 95.33 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.637 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.2 t -110.11 119.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -87.45 100.22 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 91' ' ' VAL . 5.0 mp -94.54 106.79 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -98.81 101.39 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.77 154.45 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HG2' HD21 ' A' ' 65' ' ' LEU . 1.4 pt20 -124.62 128.03 48.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.45 156.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.56 88.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -48.42 -36.19 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.66 -69.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -41.62 -36.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.6 p -47.42 -32.09 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -59.27 -25.74 64.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.8 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.599 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 137.57 21.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.3 ptm180 -113.34 142.52 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.727 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -76.09 107.21 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.5 mt -104.44 89.04 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.725 HG13 HG23 ' A' ' 92' ' ' THR . 3.6 mt -79.74 103.43 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 58' ' ' LEU . 78.8 mt -100.9 147.01 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' LYS . 57.3 m170 -114.45 95.85 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 5.4 mttm -39.33 119.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.49 -38.94 7.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m 172.0 -64.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 p -55.51 -32.83 63.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.18 -141.27 8.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 84' ' ' LEU . 67.3 mt -94.3 -12.01 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 31.5 53.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -163.62 142.33 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.0 176.59 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 2.6 pt -139.94 163.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -148.48 177.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.91 -162.83 13.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.35 29.8 8.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -120.81 117.87 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 50.12 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.83 58.62 13.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -88.5 -24.48 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.34 171.11 13.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.28 143.97 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 101' ' ' GLU . 60.8 m-85 -144.21 156.46 44.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.744 HG21 ' CD2' ' A' ' 58' ' ' LEU . 55.7 t -74.45 133.72 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.555 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -94.23 -33.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 73.7 t80 -164.53 165.02 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -135.5 120.27 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -61.84 139.37 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -85.5 108.45 17.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.02 -9.95 31.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.4 -172.68 15.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -75.01 -32.99 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.64 -39.77 76.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 15.1 mt -45.76 -57.76 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 86.4 p -44.41 -43.69 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.81 -9.19 63.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 19' ' ' ILE . 18.7 mm-40 -73.39 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.65 137.96 54.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -141.83 144.19 33.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 116.7 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.66 8.67 12.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 140.12 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 9.9 ttt180 -91.52 111.77 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.033 HD13 ' HB2' ' A' ' 95' ' ' ALA . 13.1 mm -67.5 104.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -74.01 -56.19 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.3 p -143.73 158.88 43.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.761 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.01 137.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' VAL . 21.2 t-20 39.43 29.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 78.04 57.27 3.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -134.61 144.87 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -87.75 110.31 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.739 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.6 mt -122.65 -1.19 9.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 32.7 mtp85 -37.22 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' LEU . 21.1 m-80 -137.96 57.11 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.99 160.53 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.4 p -87.13 158.41 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t-160 -41.86 -50.94 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.87 -56.51 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -50.46 -48.95 56.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.36 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.57 32.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.8 -18.98 9.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HA ' ' CD ' ' A' ' 86' ' ' ARG . . . -80.31 -27.79 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD11 ' A' ' 28' ' ' LEU . 2.0 mm? -87.23 -14.46 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -26.15 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -89.96 -8.26 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.681 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -75.87 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -169.55 -138.65 2.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.4 -52.5 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.09 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.6 t -108.12 133.29 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.725 HG23 HG13 ' A' ' 20' ' ' ILE . 99.9 m -100.16 99.99 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.803 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -97.17 108.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' HG3' ' A' ' 18' ' ' LYS . 12.2 t -96.5 101.56 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 1.033 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.46 150.4 48.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.475 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 1.6 pt20 -110.19 130.83 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.44 95.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -129.56 85.11 59.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.54 18.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.574 1.828 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.76 -44.69 96.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -68.76 -61.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 24.4 t80 -36.43 -35.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 t -39.24 -35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -59.06 -50.57 73.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 33' ' ' VAL . 39.7 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.47 ' C ' ' HG2' ' A' ' 96' ' ' GLN . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.942 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -78.87 130.43 35.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HG2' HG22 ' A' ' 92' ' ' THR . 5.8 tttt -73.13 98.4 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.927 HD13 HD13 ' A' ' 58' ' ' LEU . 3.5 mt -97.58 141.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.605 HG13 HG23 ' A' ' 92' ' ' THR . 6.0 mt -124.98 92.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.784 ' CD2' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -86.49 137.79 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 89' ' ' GLN . 24.9 m-70 -103.69 96.42 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.608 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.35 110.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.14 -63.45 2.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.93 -50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -66.47 -47.36 73.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.22 -143.24 6.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 21' ' ' LEU . 16.3 mt -93.85 -9.25 37.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 77.59 42.45 17.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.2 p90 -177.9 149.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.24 173.17 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.449 HG23 ' HE1' ' A' ' 30' ' ' PHE . 4.6 pt -131.86 159.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.6 m -143.31 177.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.02 -161.62 28.1 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.93 15.42 39.36 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.33 129.38 56.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 46.16 34.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.39 53.88 7.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.73 -33.08 23.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.63 -173.51 22.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.9 mm -132.82 140.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 33' ' ' VAL . 34.0 m-85 -147.09 151.95 37.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.0 t -68.46 135.72 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.19 -30.02 14.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 55.9 t80 -166.11 165.2 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.61 117.2 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.4 tp -55.37 152.65 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.49 109.65 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.67 -8.05 46.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -177.87 14.14 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 -34.68 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 58' ' ' LEU . . . -70.83 -21.7 62.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -96.34 -53.07 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' SER . 26.7 mt -54.39 -54.56 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' LEU . 30.8 t -37.06 -39.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.48 9.74 81.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.91 -69.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.927 HD13 HD13 ' A' ' 19' ' ' ILE . 5.9 tp -57.88 132.35 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -143.93 145.72 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -51.91 102.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.03 44.86 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 0.5 OUTLIER -122.7 135.55 54.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -84.85 116.33 23.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 1.8 mm -75.84 119.36 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.056 HD21 ' OE1' ' A' ' 96' ' ' GLN . 4.3 mm? -92.2 -56.69 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 p -142.77 160.97 39.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.93 114.33 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.33 30.63 19.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.02 39.52 16.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.89 117.7 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.56 120.39 9.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -139.0 14.7 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -40.17 -54.58 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -119.67 62.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.55 151.43 37.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.9 p -65.0 154.7 36.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -46.67 -45.17 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ALA . 8.1 tt0 -63.23 -52.08 63.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.54 -25.82 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -88.81 -45.93 9.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.15 -25.89 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.12 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 28' ' ' LEU . 1.4 mm? -90.56 -14.14 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -22.67 20.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -9.61 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.83 -143.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.51 -124.91 0.75 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.2 mt-30 -89.26 -53.17 4.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.77 94.75 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.796 HG22 ' HB1' ' A' ' 87' ' ' ALA . 15.1 t -109.31 132.03 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.605 HG23 HG13 ' A' ' 20' ' ' ILE . 6.6 m -95.14 100.77 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.784 HD13 ' CD2' ' A' ' 21' ' ' LEU . 5.2 mp -95.86 111.46 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 16' ' ' PRO . 5.0 t -103.22 101.38 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 64' ' ' ILE . . . -134.36 151.56 51.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 1.056 ' OE1' HD21 ' A' ' 65' ' ' LEU . 17.1 mt-30 -90.29 155.79 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.45 75.3 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -119.42 90.06 41.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.46 20.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.53 -38.23 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.47 -55.21 5.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.7 t80 -42.74 -35.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.9 p -47.69 -31.34 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -59.09 -24.0 62.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 15.2 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HA ' ' HG2' ' A' ' 96' ' ' GLN . 18.5 Cg_endo -74.98 115.83 4.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.643 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.7 ptp85 -89.95 173.33 8.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' HD11 ' A' ' 20' ' ' ILE . 1.1 ttmp? -110.68 122.52 48.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.947 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.1 mt -120.48 102.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.7 mt -93.1 100.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.883 HD11 HD23 ' A' ' 58' ' ' LEU . 28.8 mt -99.09 131.91 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -95.76 105.78 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.627 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 87' ' ' ALA . 6.2 mtmt -42.27 110.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.56 -61.44 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -71.26 -51.44 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.73 -136.23 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.878 HD23 HD12 ' A' ' 84' ' ' LEU . 2.6 mm? -93.68 -10.2 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 78.54 45.49 9.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.0 p90 -169.21 147.65 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.38 174.63 5.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 6.1 pt -138.12 158.56 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 5.0 m -143.12 176.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.02 -161.14 15.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.14 29.95 7.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -123.54 125.98 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 42.02 31.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.16 56.24 10.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.3 -35.44 25.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.73 160.91 8.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 33' ' ' VAL . 7.7 mm -100.65 146.06 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 42.6 m-85 -143.35 162.33 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 58' ' ' LEU . 47.0 t -80.41 133.31 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.507 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.92 -23.04 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 74.2 t80 -177.78 167.44 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.2 mm -133.78 120.42 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -55.4 138.3 46.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -78.28 118.33 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.26 -11.1 72.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -63.98 -179.19 5.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.0 -29.37 8.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -71.75 -32.5 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 30.6 t0 -84.07 -58.33 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 22.4 mt -46.49 -50.35 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.1 p -48.94 -44.71 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.91 -18.73 37.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' CB ' HG12 ' A' ' 19' ' ' ILE . 6.8 mm-40 -72.66 -53.09 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.947 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -79.11 122.71 26.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.469 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -142.85 148.47 37.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 22.3 ttp-105 -54.31 125.76 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.525 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 121.68 -23.3 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.12 161.1 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -117.05 95.75 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 95' ' ' ALA . 24.6 mm -52.54 127.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 96' ' ' GLN . 23.0 mt -112.89 -47.58 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -148.24 150.67 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 t -125.0 114.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 62.6 44.28 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.39 46.15 93.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 72' ' ' LEU . 82.1 t -126.03 118.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.5 115.2 5.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' ALA . 13.0 mt -137.28 18.56 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.525 ' HG2' HD22 ' A' ' 65' ' ' LEU . 4.8 mtp85 -40.83 -69.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -103.99 52.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 79' ' ' GLN . . . -104.5 147.63 27.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -64.64 160.87 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -49.51 -37.46 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' ALA . 14.1 tt0 -71.58 -53.65 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.413 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . 62.1 mt-30 -48.65 -36.01 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -74.78 -29.13 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -80.6 -34.56 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.61 -20.75 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -82.81 -48.31 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.878 HD12 HD23 ' A' ' 28' ' ' LEU . 2.0 mm? -57.62 -17.6 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -45.23 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.04 -7.22 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 91' ' ' VAL . . . -67.5 111.38 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.471 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -72.95 -161.59 6.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -55.58 -52.13 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.76 97.96 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.707 ' CG1' ' HB1' ' A' ' 87' ' ' ALA . 2.5 t -105.26 134.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -101.69 101.95 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.06 117.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.95 102.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -130.14 156.75 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.539 ' HG3' HD11 ' A' ' 65' ' ' LEU . 4.0 mt-30 -104.8 108.61 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -52.47 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' GLN . 5.9 mmt180 -131.93 89.44 38.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.7 19.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.57 -37.29 82.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.8 mm-40 -74.36 -61.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.9 t80 -39.29 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 29.5 t -38.19 -44.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -51.04 -53.89 29.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 121.67 6.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.738 ' CD ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -93.52 176.03 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 125.95 51.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.738 HD11 ' CD ' ' A' ' 17' ' ' ARG . 5.1 mt -131.52 125.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.49 103.27 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 HD13 ' A' ' 93' ' ' ILE . 1.6 mm? -99.0 136.17 39.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.7 m80 -99.83 101.7 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 18.2 mtmt -40.08 113.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.8 -71.61 1.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 68.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 p 50.78 49.14 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.75 159.93 21.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -83.78 -9.8 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.8 45.43 6.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 2.3 p90 -169.34 146.08 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.51 172.81 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -139.85 151.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.549 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.2 m -139.38 179.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' HD13 ' A' ' 41' ' ' ILE . . . 56.52 165.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' HIS . . . 131.15 65.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.2 mt-10 -134.87 108.31 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 16.1 m-20 68.75 -65.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -168.54 28.23 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 42' ' ' PHE . . . 155.53 124.2 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 10.4 mm -75.72 157.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' ARG . 98.3 m-85 -164.27 149.06 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 58' ' ' LEU . 39.5 t -72.97 127.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -90.61 -17.14 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 47' ' ' LEU . 27.3 t80 178.24 163.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -130.98 110.13 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 5.8 tp -40.4 154.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.93 116.99 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.65 -8.01 77.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.85 179.64 10.33 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.94 -34.19 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.05 -58.21 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.83 -50.17 18.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -45.16 -45.64 11.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.01 -27.63 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 16.0 mt-10 -66.54 -56.48 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.613 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.2 tp -67.88 123.12 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' N ' HD12 ' A' ' 58' ' ' LEU . 6.6 mtt180 -139.96 142.33 36.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 21.3 ttp-105 -49.24 129.09 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.4 -26.24 9.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -66.17 126.55 29.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 4.3 ttp85 -81.73 128.36 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 95' ' ' ALA . 35.4 mm -73.08 87.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' PRO . 2.3 mm? -63.65 -55.54 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 21.0 p -144.51 151.78 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.01 141.27 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' VAL . 26.2 t-20 39.57 29.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 76.54 53.76 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -129.14 146.53 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.76 111.64 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.719 ' HG ' HG13 ' A' ' 70' ' ' VAL . 18.3 mt -123.68 3.61 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -38.66 -60.98 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -108.01 41.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -98.92 166.37 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 32.3 p -83.58 -164.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t-160 -82.04 -45.86 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.579 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.65 -38.34 86.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -41.8 88.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -68.11 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.24 -45.54 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.38 -17.48 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.04 47.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.7 mm? -96.49 -16.7 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -16.51 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -15.13 25.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.26 -144.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.598 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.04 -144.96 5.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.55 -51.86 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 106.52 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 87' ' ' ALA . 3.1 t -120.99 125.96 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -94.82 100.23 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.78 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -95.44 113.87 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 17' ' ' ARG . 39.8 t -103.11 101.21 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -122.89 161.61 23.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.525 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 pt20 -118.54 113.17 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.83 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -137.69 85.81 19.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.5 Cg_endo -74.98 -33.74 4.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.0 -34.05 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -80.27 -60.82 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 105' ' ' PHE . 78.4 t80 -57.78 -17.02 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' PRO . 7.5 t -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -55.35 -45.98 76.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 102' ' ' TYR . 24.8 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.831 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.59 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptp85 -83.08 175.11 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -101.91 128.29 48.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD ' ' A' ' 17' ' ' ARG . 6.0 mt -133.35 111.86 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' ILE . 3.2 mt -100.36 99.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 HD23 ' A' ' 58' ' ' LEU . 71.1 mt -95.4 139.2 32.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 12.2 m170 -103.47 102.84 12.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.8 mtmt -39.19 110.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.86 -57.4 5.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 -57.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.9 p -72.64 -49.91 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.78 -145.7 5.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 mm? -86.91 -9.04 56.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 82.76 42.48 8.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.3 p90 -168.67 148.67 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.18 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.1 152.45 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.0 OUTLIER -139.2 162.77 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.67 -148.24 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.76 38.55 11.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -132.82 120.42 21.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 t0 46.33 27.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.63 71.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.37 -32.9 66.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.17 160.5 9.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.7 mm -105.08 139.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 13.0 m-85 -138.92 159.07 43.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 26.7 t -79.53 136.61 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.81 -37.53 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 76.2 t80 -157.54 167.55 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -134.59 118.56 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -53.84 138.55 35.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.45 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.33 -13.31 60.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.26 -177.32 9.55 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.471 ' C ' HD22 ' A' ' 21' ' ' LEU . 18.0 Cg_endo -75.04 -32.33 5.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.06 -28.82 66.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 53' ' ' ASP . 27.4 t0 -89.25 -58.16 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 19.8 mt -47.91 -55.26 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -39.56 -50.11 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.66 -2.02 79.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.18 -46.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.932 HD23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -83.31 124.19 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' NH2' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -138.92 161.38 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 30.6 ttp180 -66.41 82.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' ' NH2' ' A' ' 59' ' ' ARG . . . 149.32 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.38 111.22 11.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' HB1' ' A' ' 95' ' ' ALA . 65.0 ttt180 -61.62 124.81 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.637 HD13 ' HB2' ' A' ' 95' ' ' ALA . 14.7 mm -80.01 99.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' HG2' ' A' ' 96' ' ' GLN . 3.9 mm? -74.89 -55.45 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.4 p -146.14 167.12 24.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.047 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -130.47 131.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' VAL . 4.1 t-20 39.12 29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 86.03 47.91 4.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 67' ' ' VAL . 74.1 t -122.18 119.88 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -70.89 105.65 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 67' ' ' VAL . 96.0 mt -121.56 10.94 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.3 mtp180 -38.23 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 4.1 m120 -147.48 69.17 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -122.57 173.91 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.4 p -90.05 166.87 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -55.69 -48.64 74.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -62.36 -53.04 60.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -49.75 -31.33 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -76.66 -41.3 46.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.64 -43.29 76.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.79 -27.52 63.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.632 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -73.45 -30.54 63.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.45 HD11 ' HZ ' ' A' ' 30' ' ' PHE . 50.3 mt -85.36 -22.8 28.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.52 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -8.62 52.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.686 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -65.9 -135.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.66 -144.8 5.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -70.6 -52.67 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.98 103.06 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.686 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 3.5 t -117.36 136.71 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.0 m -104.14 101.09 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.61 118.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 16' ' ' PRO . 19.9 t -104.77 101.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.38 156.94 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.599 ' HG2' HD21 ' A' ' 65' ' ' LEU . 2.1 pt20 -123.75 131.63 53.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -50.73 156.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.42 92.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -45.8 -60.0 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.0 -70.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 20.0 t80 -41.82 -35.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -23.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -32.02 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' TYR . 32.5 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 129.54 12.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.38 131.37 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.85 108.43 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.5 mt -107.9 127.65 63.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.04 108.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.901 HD11 HD23 ' A' ' 58' ' ' LEU . 22.2 mt -105.25 144.88 31.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 33.8 m170 -109.37 97.91 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.0 mtmt -38.6 113.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.39 -71.9 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.438 ' C ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -102.42 -69.35 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 25' ' ' SER . 23.1 p -151.03 40.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.09 168.06 41.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.2 mm? -88.48 -9.83 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 80.22 45.95 7.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.8 p90 -172.94 147.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 1.3 t-20 -102.52 172.24 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' C ' ' CG1' ' A' ' 33' ' ' VAL . 1.3 pt -142.57 167.55 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -149.55 173.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.56 -163.83 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.26 33.92 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' GLY . 3.2 mm-40 -127.61 120.64 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 45.0 27.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.11 56.41 19.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.36 -32.85 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.14 152.03 6.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 20.6 mm -93.62 147.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 31.6 m-85 -147.95 150.33 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' OD1' ' A' ' 62' ' ' ASP . 11.4 t -71.04 130.81 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -94.1 -16.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 63.4 t80 177.2 166.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.687 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.6 mm -132.05 121.62 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -56.75 138.79 52.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -80.35 118.99 22.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.03 63.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -64.66 -179.0 6.6 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -31.37 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -71.99 -17.83 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -98.37 -58.66 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 24.8 mt -49.05 -50.85 34.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.2 p -41.5 -47.06 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.79 -17.02 58.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.97 -66.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.18 124.7 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -143.14 143.61 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.486 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.8 ttm180 -50.07 131.59 23.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 100.8 25.43 8.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.853 ' OD1' HG23 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -93.76 163.62 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 62.1 ttt180 -114.33 87.08 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.892 HD13 ' HB2' ' A' ' 95' ' ' ALA . 17.8 mm -51.76 132.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.73 HD11 ' NE2' ' A' ' 96' ' ' GLN . 33.1 mt -113.53 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.5 p -155.21 166.14 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -129.8 133.78 64.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.5 t-20 38.8 30.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 85.39 45.64 5.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' VAL . 88.1 t -118.15 112.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -67.82 107.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 8.0 mt -131.1 20.36 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -42.58 -31.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.9 72.97 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.48 179.31 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.1 p -92.8 157.93 16.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 4.7 t-160 -48.79 -49.35 39.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.9 -54.71 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.35 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.02 -44.04 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.76 -31.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.722 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -66.79 -58.67 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.3 mm? -56.51 -18.01 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 -39.1 20.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -82.67 -8.39 59.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -64.5 -136.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.439 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -178.57 -143.41 5.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 6.1 tt0 -71.64 -52.72 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 97.71 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.679 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 4.7 t -112.06 132.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ASN . 54.7 m -101.12 99.6 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 21' ' ' LEU . 5.4 mp -91.82 121.62 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.96 100.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.892 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -133.27 152.03 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.73 ' NE2' HD11 ' A' ' 65' ' ' LEU . 4.4 pt20 -116.5 124.95 51.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.57 150.67 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.84 86.5 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.88 6.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.17 -54.57 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 4.0 mm-40 -64.65 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -43.23 -33.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -50.84 -30.08 13.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -61.19 -27.6 68.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.03 133.28 16.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -110.09 141.51 42.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttpt -73.75 108.2 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.702 HG22 ' HG ' ' A' ' 21' ' ' LEU . 3.3 mt -104.47 90.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.538 HG13 HG23 ' A' ' 92' ' ' THR . 3.3 mt -81.29 98.38 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.745 HD11 HD12 ' A' ' 58' ' ' LEU . 63.9 mt -98.92 142.97 29.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' LYS . 49.0 m80 -109.32 100.57 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' HIS . 10.0 mtmt -38.17 114.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.98 -72.03 0.7 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -56.43 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -158.1 25.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -151.28 161.36 29.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.764 ' CD1' HD12 ' A' ' 84' ' ' LEU . 77.4 mt -93.29 -9.35 39.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 79.04 42.9 11.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CD2' HD13 ' A' ' 58' ' ' LEU . 1.2 p90 -177.54 146.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.72 176.99 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.48 159.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.5 m -139.92 177.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 -171.83 25.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.5 6.89 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -118.12 117.7 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 55.75 39.54 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.32 55.86 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -86.97 -31.48 20.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.82 -168.85 22.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.6 mm -131.13 149.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 62.2 m-85 -151.08 148.75 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' ' 58' ' ' LEU . 47.7 t -64.17 139.16 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -103.1 -38.8 7.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.7 t80 -158.23 165.34 35.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.486 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -135.65 121.57 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -63.79 151.31 42.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.99 108.98 21.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.76 -10.22 32.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.19 -175.26 21.0 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.99 -31.97 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.06 -33.69 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -87.44 -57.81 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.8 mt -46.23 -58.58 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -46.16 -43.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.9 24.98 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.6 mm-40 -106.21 -48.85 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.745 HD12 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.5 138.38 35.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.89 150.13 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.07 113.22 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.22 5.31 9.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.28 127.68 37.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 20.3 ttt180 -79.58 118.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.969 HD13 ' HB2' ' A' ' 95' ' ' ALA . 8.3 mm -73.46 106.76 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.5 mm? -76.71 -55.42 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 12.8 p -146.65 157.44 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.1 t -128.04 138.22 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.5 t-20 39.64 29.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 77.78 55.84 4.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -132.17 144.46 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -88.69 109.96 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.751 ' HG ' HG13 ' A' ' 70' ' ' VAL . 10.8 mt -123.62 -0.21 8.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtp180 -37.12 -37.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -136.41 49.33 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -110.58 162.25 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 45.6 p -80.95 164.85 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.08 -39.16 66.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.75 -56.0 16.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -54.1 -39.59 66.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 72' ' ' LEU . . . -68.67 -28.68 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -80.48 -45.69 17.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.98 -24.51 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -74.69 -22.19 58.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.764 HD12 ' CD1' ' A' ' 28' ' ' LEU . 1.7 mm? -95.82 -23.84 16.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -25.27 24.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 -8.0 49.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.69 -143.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -165.17 -154.16 7.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.5 mt-30 -59.04 -51.92 67.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 99.17 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.606 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.6 t -108.66 137.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.538 HG23 HG13 ' A' ' 20' ' ' ILE . 52.6 m -104.64 100.57 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.88 109.81 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 18' ' ' LYS . 41.6 t -97.13 100.93 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.969 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.2 152.25 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.487 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -111.26 130.84 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.66 97.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.87 82.6 49.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.46 17.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.96 -44.82 95.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.6 mm-40 -71.85 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 74.8 t80 -42.78 -33.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 t -50.75 -27.59 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.36 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 29.7 m-85 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.7 mt-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.04 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -100.78 155.32 17.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -87.0 103.81 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.0 mt -105.05 115.0 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.813 HG13 HG23 ' A' ' 92' ' ' THR . 5.0 mt -102.15 102.22 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.986 HD21 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -94.94 136.55 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -101.9 103.5 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 3.9 mttm -44.79 113.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 -40.82 10.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.75 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -74.85 -46.24 37.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 -137.29 4.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mm? -92.46 -11.98 33.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.22 35.43 23.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.5 p90 -161.89 143.56 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -95.37 175.6 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pt -144.09 153.27 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 105' ' ' PHE . 1.7 m -144.08 160.65 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.97 -167.05 12.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.17 42.6 2.03 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.01 123.58 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.81 19.13 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.24 49.27 77.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -81.82 -19.17 41.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.21 18.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.7 mm -108.8 161.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 71.5 m-85 -157.33 146.57 20.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.765 HG21 HD21 ' A' ' 58' ' ' LEU . 53.3 t -68.51 134.63 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.463 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.31 -32.41 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 49.1 t80 -165.66 167.32 17.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -135.3 121.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.5 tp -61.24 151.26 32.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.88 110.51 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 110.16 -13.89 31.15 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -69.27 -174.54 11.02 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.99 -34.3 3.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -70.79 -7.9 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.0 -52.18 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 82.6 mt -60.04 -52.56 64.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 87.6 p -38.33 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . 91.62 4.19 68.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.4 mm-40 -121.86 -172.55 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER 61.13 135.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' GLY . 13.9 mtt180 -146.69 146.55 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -58.15 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . 139.75 43.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -123.41 126.59 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 12.8 ttt180 -75.01 113.15 11.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.98 HD13 ' HB2' ' A' ' 95' ' ' ALA . 30.8 mm -68.17 112.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.2 mm? -80.65 -50.96 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 26.9 p -155.69 169.25 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.917 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -128.85 123.75 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 48.89 22.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 92.93 42.97 4.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 67' ' ' VAL . 57.8 t -117.34 115.35 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -67.3 107.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD12 HG12 ' A' ' 67' ' ' VAL . 75.8 mt -120.45 5.14 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' LEU . 25.7 mtp180 -37.96 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.6 m120 -140.13 67.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.67 156.68 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -77.62 172.47 13.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -56.55 -56.21 24.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ALA . 3.5 tt0 -50.15 -58.6 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -47.3 -39.99 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.55 -35.61 79.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -75.71 -53.06 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.89 -22.78 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.869 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -74.64 -32.57 62.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.9 mm? -83.34 -15.99 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -25.29 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.74 -9.16 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.689 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -72.43 -140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.21 -131.55 1.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -83.03 -52.68 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 95.1 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.689 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 5.3 t -113.15 135.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.813 HG23 HG13 ' A' ' 20' ' ' ILE . 26.1 m -103.39 99.79 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 HD23 ' A' ' 21' ' ' LEU . 4.9 mp -93.65 108.73 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 16' ' ' PRO . 14.8 t -93.87 101.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.98 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -128.17 147.9 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -111.79 127.43 55.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.79 84.41 63.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.09 9.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.64 -35.32 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -84.83 -49.07 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.8 t80 -56.26 -16.88 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 -50.8 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -45.87 -54.3 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 33' ' ' VAL . 34.3 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.4 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.07 156.83 42.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.59 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -143.0 -179.3 6.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HG21 ' A' ' 92' ' ' THR . 10.2 ttmt -107.31 118.89 37.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 21' ' ' LEU . 8.2 mt -121.72 108.23 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.91 HG13 HG23 ' A' ' 92' ' ' THR . 1.7 mt -90.86 101.6 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.841 HD21 HD12 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.64 135.94 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' LYS . 27.2 m-70 -109.54 93.39 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.3 mtmt -37.14 109.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.59 -70.91 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.47 75.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p 46.3 29.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -155.95 151.68 23.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 27.4 mt -84.01 -9.21 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.28 30.49 30.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.7 p90 -167.63 143.7 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 1.1 t-20 -95.81 176.25 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 HD12 ' HD2' ' A' ' 77' ' ' HIS . 1.6 pt -136.9 154.25 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -141.36 177.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.44 -165.98 13.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.97 27.37 5.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.79 119.03 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 41.11 32.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 55.98 51.71 53.7 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -10.07 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.23 151.05 21.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -93.84 135.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 m-85 -133.46 166.97 21.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.59 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 39.8 t -85.12 127.37 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -84.73 -34.33 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 64.3 t80 -163.54 166.6 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -133.9 126.34 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -69.47 139.41 53.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.611 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -87.35 106.56 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.92 -12.54 17.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -75.75 -173.09 33.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.95 -34.79 3.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.68 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -68.33 -16.46 63.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.92 -53.95 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 39.5 mt -54.14 -53.78 48.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 93.7 p -38.02 -33.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 71.14 30.76 67.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 1.8 mm-40 -127.6 -64.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -56.11 146.78 21.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 10.2 mtt85 -145.77 152.19 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.2 ttp-105 -71.79 95.83 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 147.22 -23.24 1.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 160.31 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -112.64 112.07 23.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 95' ' ' ALA . 20.9 mm -61.51 134.41 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.3 mt -112.1 -54.69 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -135.6 159.58 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.902 HG11 ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -119.86 102.84 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.34 -39.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 67' ' ' VAL . . . 179.64 -27.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.502 HG22 ' H ' ' A' ' 67' ' ' VAL . 4.4 m -53.08 -170.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.7 t30 -130.72 116.59 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 ' HB ' ' A' ' 67' ' ' VAL . 10.0 mt -128.9 40.33 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -68.19 -33.16 73.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 4.5 m-20 -146.06 25.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.72 161.65 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -80.8 153.35 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.457 ' HD2' HD12 ' A' ' 32' ' ' ILE . 12.3 t-160 -43.26 -47.35 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.43 -56.56 17.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -49.02 -47.6 44.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' HD22 ' A' ' 84' ' ' LEU . . . -62.12 -35.24 78.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.66 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.45 -19.47 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.902 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -81.94 -29.38 32.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 80' ' ' ALA . 1.6 mm? -82.76 -18.96 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -28.54 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.462 ' NH2' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -93.85 -7.58 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB1' HG21 ' A' ' 91' ' ' VAL . . . -80.11 117.61 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.24 -133.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 5.7 mt-30 -89.83 -52.74 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.21 96.47 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 1.031 HG21 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -114.33 136.25 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.91 HG23 HG13 ' A' ' 20' ' ' ILE . 3.1 m -94.19 100.67 12.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -91.94 113.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 17' ' ' ARG . 84.8 t -99.65 101.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -121.62 164.44 17.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.6 pt20 -127.32 120.95 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -53.66 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -128.45 82.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.2 Cg_endo -74.98 -38.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -49.68 -22.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.62 -43.72 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 71.8 t80 -70.74 -20.94 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -40.31 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.64 -54.01 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -168.9 167.29 10.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 169.85 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.36 160.26 28.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.21 171.24 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.991 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.79 165.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.025 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.9 135.0 7.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -76.57 148.84 80.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 143.71 29.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.82 -106.22 3.1 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.143 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . -154.55 -117.69 0.63 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 40.32 83.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.98 59.66 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.26 -54.89 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.3 mt-10 -55.45 173.85 0.24 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.99 141.49 26.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.511 1.795 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -131.3 175.24 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' HG3' HG22 ' A' ' 94' ' ' VAL . 2.5 mttt -100.49 137.59 38.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.645 HG21 ' HB2' ' A' ' 58' ' ' LEU . 5.4 mt -136.21 89.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 92' ' ' THR . 2.9 mt -82.06 106.25 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD11 HD12 ' A' ' 58' ' ' LEU . 35.2 mt -105.23 135.41 46.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -95.76 104.83 16.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.587 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -42.78 111.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.67 -43.77 8.2 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.2 p 177.18 -64.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.6 p -63.63 -35.97 82.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.44 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.31 -141.45 7.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.538 1.149 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -91.82 -9.94 41.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 84.58 38.5 9.64 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.0 p90 -164.27 144.92 8.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 110.942 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -96.16 175.78 6.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 pt -143.7 153.12 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.4 m -139.11 177.2 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.11 -165.41 17.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.06 21.17 8.24 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 38' ' ' GLY . 5.9 mt-10 -113.66 122.28 46.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 0.792 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 40.94 32.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.4 49.0 58.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -21.01 60.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 0.731 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.49 146.45 8.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 5.5 mm -86.79 154.32 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.666 ' O ' HG22 ' A' ' 33' ' ' VAL . 60.5 m-85 -156.36 142.01 17.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.653 HG21 HD21 ' A' ' 58' ' ' LEU . 68.3 t -64.07 136.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.495 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.0 -32.88 11.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 48.8 t80 -162.84 161.8 26.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.817 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -132.63 117.83 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.2 tp -54.27 152.87 5.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.19 110.27 22.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.98 -10.88 40.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.97 -177.87 12.84 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.472 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.98 -29.57 8.12 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.64 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -93.94 -56.28 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 25.6 mt -50.75 -56.25 12.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 92.1 p -40.76 -30.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 66.44 40.19 94.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.466 ' CB ' HG12 ' A' ' 19' ' ' ILE . 17.3 mm-40 -130.09 -65.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.817 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -62.59 137.03 58.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mtt85 -140.2 150.56 44.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.52 123.95 20.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.07 -18.16 14.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.79 162.76 2.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.559 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 51.1 ttt180 -116.32 104.5 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 93' ' ' ILE . 4.7 mm -60.3 130.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 16' ' ' PRO . 40.7 mt -108.51 -53.32 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 3.4 p -145.12 159.07 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 68' ' ' ASN . 3.4 t -126.71 108.33 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.464 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 3.2 t-20 79.47 -56.01 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 175.32 38.55 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.423 ' O ' ' CB ' ' A' ' 66' ' ' SER . 99.4 t -121.35 129.69 75.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -78.74 99.55 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.52 14.58 30.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -43.47 7.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.88 57.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.33 153.09 32.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 p -71.34 172.92 8.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -58.64 -54.42 47.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.5 tt0 -51.85 -56.48 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -48.01 -50.0 29.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -22.84 52.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.97 -44.71 9.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -27.87 53.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.1 -17.78 61.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' A' ' 28' ' ' LEU . 46.7 mt -96.2 -24.77 16.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -82.43 -22.78 35.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.97 -11.06 31.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.786 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.84 -142.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -161.25 -132.68 1.37 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -83.4 -52.16 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.32 92.47 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.786 HG22 ' HB1' ' A' ' 87' ' ' ALA . 21.2 t -100.43 127.59 53.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.437 HG23 HG13 ' A' ' 20' ' ' ILE . 87.4 m -94.87 101.77 13.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.384 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.522 ' CG2' ' CD1' ' A' ' 64' ' ' ILE . 5.0 mp -95.57 105.74 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 18' ' ' LYS . 96.8 t -91.8 101.6 12.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -125.18 161.47 26.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 5.3 pt20 -128.05 119.08 24.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.13 95.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.02 84.31 58.3 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -23.42 13.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.59 -35.66 72.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 103' ' ' SER . 3.5 mm-40 -81.46 -61.38 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 110.303 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.537 ' CE2' ' HG2' ' A' ' 106' ' ' GLU . 77.7 t80 -43.07 -25.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 101' ' ' GLU . 28.0 t -38.78 -50.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -45.53 -54.26 7.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -63.5 -35.11 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 2.6 mm-40 -55.1 -50.44 69.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.99 -57.84 10.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.5 t 63.48 137.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -99.82 -151.68 26.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.107 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.14 15.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.422 1.749 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.2 p -179.04 79.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 m -84.55 93.3 8.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -179.55 98.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.779 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -144.14 155.66 44.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.78 144.45 5.25 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.5 -60.36 0.44 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.49 97.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.88 133.8 1.93 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -149.84 116.17 3.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 0.764 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.01 13.53 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.481 1.78 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -156.72 142.66 8.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.4 -144.97 6.08 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -115.0 33.57 5.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 69.75 76.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.92 -46.06 1.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 -69.31 173.17 4.11 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.97 144.53 30.47 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.491 1.785 . . . . 0.0 111.035 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -127.12 137.91 53.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.4 OUTLIER -75.86 110.52 10.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.601 HG22 ' CD2' ' A' ' 21' ' ' LEU . 7.0 mt -113.27 120.44 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.499 HG13 HG23 ' A' ' 92' ' ' THR . 4.3 mt -112.28 104.09 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.703 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.2 mm? -95.19 142.41 27.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 35.4 m80 -102.87 99.7 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.604 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.5 mtmt -40.08 112.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.18 -55.36 5.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.19 -60.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -61.68 -43.5 98.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.58 -140.33 4.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.703 HD22 ' HB2' ' A' ' 21' ' ' LEU . 12.7 mt -93.9 -8.95 38.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.75 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 47' ' ' LEU . . . 85.95 26.07 35.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.8 p90 -166.09 145.95 6.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 0.772 . . . . 0.0 110.942 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -97.45 174.96 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 pt -138.32 159.12 32.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.546 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -146.9 172.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.02 -174.6 20.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.11 39.25 1.56 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' C ' ' N ' ' A' ' 38' ' ' GLY . 1.4 mm-40 -131.26 123.72 29.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 0.757 . . . . 0.0 110.311 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 45.94 27.1 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 54.2 57.92 14.95 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -85.83 -31.61 22.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.747 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.3 164.95 10.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ILE . 5.5 mm -108.43 142.19 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 47.1 m-85 -140.79 167.62 21.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 41.9 t -85.66 137.46 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.546 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.68 -31.42 12.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.989 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 54.4 t80 -167.15 168.09 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 111.046 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.508 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.1 mm -133.84 116.14 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.728 HD13 ' N ' ' A' ' 48' ' ' ALA . 3.3 tm? -58.84 144.31 44.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.728 ' N ' HD13 ' A' ' 47' ' ' LEU . . . -91.29 110.17 21.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.59 -13.22 27.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.93 -175.66 24.94 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.2 Cg_endo -75.0 -33.41 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.51 1.795 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.628 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -67.31 -30.16 69.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -91.21 -56.6 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 20.4 mt -49.01 -57.61 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 67.0 m -43.89 -30.82 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.37 14.07 71.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.435 1.084 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -97.0 -75.25 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.651 HD12 HD21 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -55.55 146.5 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' H ' HD23 ' A' ' 58' ' ' LEU . 4.0 mtt85 -141.12 164.0 31.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' N ' HG13 ' A' ' 46' ' ' ILE . 5.3 ttt180 -80.74 102.65 10.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.22 -25.55 2.63 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.405 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -47.63 166.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.571 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 60.5 ttt180 -121.05 102.76 8.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.928 HD13 ' HB2' ' A' ' 95' ' ' ALA . 48.7 mm -57.29 130.36 20.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.5 mt -111.43 -49.15 3.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 9.7 p -145.49 157.62 43.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.7 t -126.71 126.18 68.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.8 t-20 52.74 28.75 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.29 37.84 23.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.135 . . . . 0.0 111.047 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 66' ' ' SER . 93.1 t -116.13 128.02 73.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.45 117.98 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.6 mt -138.4 15.86 2.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -45.29 -42.01 9.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -131.34 52.84 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.06 156.3 18.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -75.69 165.98 24.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.387 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -51.21 -54.95 20.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.582 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.1 tt0 -52.81 -55.83 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -50.71 -36.56 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.4 -23.16 61.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -89.41 -47.33 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.17 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -81.29 -19.45 42.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' A' ' 91' ' ' VAL . 54.0 mt -97.13 -27.57 14.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -18.56 57.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -19.81 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.751 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -65.79 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -171.38 -141.65 3.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.55 1.157 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -51.59 63.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.01 100.27 11.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.751 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -110.2 126.36 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.538 HG21 ' HE2' ' A' ' 18' ' ' LYS . 28.4 m -94.24 100.82 12.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.701 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.2 mp -101.0 111.44 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -95.04 100.72 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.928 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.25 157.97 38.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -122.26 130.66 53.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -58.42 96.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.86 83.84 33.75 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -26.92 10.58 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.82 -48.29 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.497 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.8 mm-40 -67.76 -59.81 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.582 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 63.2 t80 -42.51 -34.99 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.7 t -49.65 -28.25 5.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -63.71 -29.03 70.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -86.82 -43.3 12.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -41.5 -43.85 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -60.95 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.0 t 67.66 151.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -52.68 -179.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.18 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.6 t -169.12 82.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.31 132.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.8 p -174.74 159.65 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -178.45 172.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 146.23 8.02 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 p -172.82 175.8 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.08 168.45 9.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.0 104.89 0.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -74.24 147.36 85.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.15 13.28 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 111.041 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.06 137.36 3.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.01 170.84 40.72 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.44 29.05 5.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.736 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.2 50.97 4.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -114.01 -42.07 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 -66.73 173.8 2.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.627 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.01 167.0 28.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.769 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -153.85 131.64 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' HA ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -73.74 110.02 7.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 HD22 ' A' ' 21' ' ' LEU . 3.4 mt -110.18 139.98 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG13 HG23 ' A' ' 92' ' ' THR . 3.8 mt -124.35 105.07 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.815 HD23 HD13 ' A' ' 93' ' ' ILE . 2.4 mm? -96.86 147.15 24.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 23' ' ' LYS . 16.3 m-70 -112.65 105.07 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' HIS . 4.3 mttm -39.98 111.9 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.73 -48.94 25.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.81 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.2 p -92.19 -42.88 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.01 -146.53 8.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -83.77 -8.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 75.26 46.41 15.89 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.64 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.6 p90 -169.86 148.56 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -103.03 171.33 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.427 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.2 pt -138.32 155.3 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -140.38 177.23 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.22 -174.46 23.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.44 47.29 0.87 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' N ' ' OE2' ' A' ' 39' ' ' GLU . 16.5 mt-10 -140.41 120.88 14.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.763 . . . . 0.0 110.329 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t0 46.47 37.97 4.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.58 56.44 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.442 ' OE2' ' N ' ' A' ' 36' ' ' GLU . 1.3 pt-20 -85.02 -29.74 24.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.291 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.18 -172.48 17.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.425 1.078 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 33' ' ' VAL . 6.0 mm -128.36 144.7 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' CE1' ' NH2' ' A' ' 104' ' ' ARG . 30.0 m-85 -146.38 144.5 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.562 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.5 t -62.09 140.55 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.573 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -103.33 -18.12 14.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.444 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 79.1 t80 178.77 165.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.64 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.3 mm -131.68 122.01 48.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -57.93 139.0 55.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.647 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.38 112.55 19.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.66 -12.77 53.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.55 -175.18 9.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' C ' HD12 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.96 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.74 -18.37 64.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -57.1 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 12.5 mt -48.02 -45.52 32.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -56.05 -42.63 76.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.23 -20.48 29.61 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.64 -65.13 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 43' ' ' VAL . 1.1 tp -64.59 124.37 21.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.98 150.25 44.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 14.8 ttp-105 -54.0 125.31 18.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 118.64 -33.48 4.78 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.549 1.155 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.53 153.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 57.3 ttt180 -112.65 102.29 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.268 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.925 HD13 ' HB2' ' A' ' 95' ' ' ALA . 50.6 mm -56.93 128.3 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 16' ' ' PRO . 35.0 mt -110.16 -41.1 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 36.1 p -156.57 151.54 26.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.832 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.18 130.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 52.28 19.43 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 86.45 45.07 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.832 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -119.2 147.43 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -89.69 109.99 20.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.73 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.5 mt -123.05 4.43 9.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 72' ' ' LEU . 10.4 mtp180 -37.8 -42.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -133.04 49.41 2.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -106.79 155.64 19.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 p -78.41 156.06 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -40.36 -56.21 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.616 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 81' ' ' ALA . 12.2 tt0 -51.12 -58.42 6.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -46.47 -45.99 18.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.0 -32.82 73.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -77.69 -46.4 21.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.05 -27.42 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.63 68.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.523 HD12 HD21 ' A' ' 28' ' ' LEU . 1.7 mm? -84.92 -21.09 29.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -29.22 40.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -90.04 -9.45 48.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.851 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -69.05 -141.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.466 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.05 -136.33 2.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -74.42 -51.22 15.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.42 96.87 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.028 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.851 HG22 ' HB1' ' A' ' 87' ' ' ALA . 16.5 t -106.17 130.43 57.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.632 HG23 HG13 ' A' ' 20' ' ' ILE . 17.0 m -97.3 100.72 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.815 HD13 HD23 ' A' ' 21' ' ' LEU . 5.0 mp -99.69 115.26 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 18' ' ' LYS . 58.5 t -102.59 101.11 11.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.925 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.56 166.08 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -125.84 127.08 45.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.53 97.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -134.34 82.8 45.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -26.99 10.5 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -56.28 -57.38 12.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.491 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.3 mm-40 -57.99 -58.92 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 85.6 t80 -54.7 -20.55 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 100' ' ' GLU . 5.6 t -48.73 -32.14 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.598 ' NH2' ' CE1' ' A' ' 42' ' ' PHE . 5.3 ptt85 -62.54 -34.45 76.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.448 ' CD2' HG21 ' A' ' 33' ' ' VAL . 12.8 m-85 -79.98 -28.59 39.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -62.11 -64.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.55 -59.68 3.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 m -87.57 90.25 8.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.06 149.78 21.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.34 4.89 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.6 p 178.14 165.81 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.964 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 m -121.51 135.66 55.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.96 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.565 1.166 . . . . 0.0 111.029 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p -170.73 170.61 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 0.76 . . . . 0.0 110.027 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -144.6 169.78 17.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.994 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.0 -170.01 28.68 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.1 p -40.63 160.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 0.0 109.999 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.93 162.04 39.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.59 132.83 2.06 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 mtm-85 -78.64 154.45 78.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.07 3.91 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.54 -67.51 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.54 95.26 1.79 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.46 85.51 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.24 59.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.1 -44.42 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.6 mt-10 -67.36 173.62 2.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.605 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.98 150.03 37.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' CG ' HD11 ' A' ' 19' ' ' ILE . 1.3 ptm180 -135.3 137.0 42.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HA ' HG22 ' A' ' 94' ' ' VAL . 2.1 tttp -73.67 110.25 7.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.629 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.1 mt -113.33 110.81 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 91' ' ' VAL . 4.3 mt -102.04 106.13 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.797 HD21 HD12 ' A' ' 58' ' ' LEU . 1.4 mm? -95.58 142.63 27.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 6.8 m170 -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CG ' HD13 ' A' ' 28' ' ' LEU . 6.9 mttm -39.73 118.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.6 -40.49 6.78 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.66 -59.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -68.36 -54.39 17.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.44 -134.85 2.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.664 ' CD2' HD22 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -90.13 -9.53 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.24 36.34 18.02 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.7 p90 -162.4 146.44 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 0.774 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 0.7 OUTLIER -95.33 170.37 9.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.439 HD12 ' HD2' ' A' ' 77' ' ' HIS . 0.8 OUTLIER -135.27 151.69 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -139.84 174.55 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.8 -168.14 15.0 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.86 34.34 3.28 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -127.97 121.35 29.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 44.72 38.55 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.29 60.8 3.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.99 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.1 pt-20 -88.98 -30.32 18.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 133.58 172.55 12.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.521 1.138 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -115.89 138.0 47.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 89.9 m-85 -133.86 162.3 32.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 37.4 t -81.93 128.84 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.535 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -88.04 -32.34 18.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.3 t80 -168.61 165.84 12.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.717 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -129.96 116.66 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -54.93 151.74 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -97.16 108.95 21.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.07 -11.89 29.14 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.24 -174.61 19.46 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.96 -33.62 4.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.36 -27.97 65.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.31 -57.7 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 18.9 mt -49.2 -56.38 9.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 58.6 m -40.45 -50.13 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.5 -12.44 68.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -75.51 -74.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.797 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -50.63 145.15 7.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' H ' HD23 ' A' ' 58' ' ' LEU . 9.2 mtt180 -145.28 151.73 38.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -68.6 115.48 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 126.71 -26.19 5.18 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.19 173.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 0.743 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.6 ' HG3' ' CE2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -127.73 103.91 7.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.749 HD13 ' HB2' ' A' ' 95' ' ' ALA . 9.5 mm -59.29 129.58 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 16' ' ' PRO . 27.0 mt -109.43 -51.89 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.6 p -144.97 153.2 41.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.799 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.28 139.87 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 67' ' ' VAL . 15.3 t-20 39.63 29.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.88 56.96 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -133.19 147.14 31.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -89.77 110.72 21.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.736 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.9 mt -123.5 3.14 9.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' LEU . 21.7 mtp180 -38.5 -41.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.258 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -129.57 52.12 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -110.36 163.67 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.3 p -87.6 162.55 17.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' HD2' HD12 ' A' ' 32' ' ' ILE . 17.8 t-160 -49.4 -42.83 43.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 11.0 tt0 -63.8 -51.87 62.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -51.03 -48.91 61.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.38 66.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.36 -43.06 15.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.01 -31.64 71.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -72.41 -15.08 61.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.664 HD22 ' CD2' ' A' ' 28' ' ' LEU . 48.1 mt -95.03 -29.56 14.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.39 -16.39 56.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -91.26 -19.08 23.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.05 -142.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.424 1.077 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.04 -128.3 0.99 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' NE2' ' OG ' ' A' ' 90' ' ' SER . 1.0 OUTLIER -84.24 -39.81 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.325 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.454 ' OG ' ' NE2' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -108.49 97.97 7.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.907 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.7 t -109.11 139.77 30.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 94.2 m -103.7 100.58 10.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.783 HG13 HG22 ' A' ' 67' ' ' VAL . 3.2 mp -99.82 114.21 37.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 18' ' ' LYS . 66.1 t -103.56 100.53 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.749 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.53 156.29 39.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -117.92 131.33 56.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.78 93.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.92 83.43 56.83 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -24.01 13.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.558 1.82 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.6 -51.56 69.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.503 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.9 mm-40 -65.35 -60.54 2.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.492 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 64.9 t80 -42.73 -32.35 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -51.99 -28.04 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.06 -29.1 70.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 43.5 m-85 -85.86 -40.39 16.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -47.53 -48.88 27.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -58.0 10.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.036 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -107.15 107.18 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -115.02 177.81 17.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 78.76 2.81 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.79 84.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 p -65.18 163.21 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.964 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.65 157.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 109.97 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -164.85 159.95 18.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.45 -126.98 1.78 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.91 171.83 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 0.769 . . . . 0.0 110.02 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.06 165.79 32.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.9 124.92 1.86 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.106 . . . . 0.0 111.042 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 mtm180 -82.24 139.98 45.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.747 . . . . 0.0 110.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 18.3 Cg_endo -75.02 -170.89 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 177.65 171.05 40.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.546 1.153 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 125.66 155.02 8.87 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.435 ' CB ' ' HD2' ' A' ' 14' ' ' ARG . 6.1 m-20 -113.89 22.71 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.776 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.18 85.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.435 ' HD2' ' CB ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -134.43 -44.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.8 mt-10 -62.46 173.32 1.0 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.668 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.04 154.18 42.1 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -143.88 179.04 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HE2' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -106.01 128.67 53.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG21 ' HB2' ' A' ' 58' ' ' LEU . 7.1 mt -130.01 112.14 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.2 mt -100.24 108.91 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.943 HD11 HD23 ' A' ' 58' ' ' LEU . 34.0 mt -106.98 128.88 54.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' LYS . 31.9 m-70 -89.6 107.17 18.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.1 mtmt -38.27 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.88 -54.61 1.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.416 ' O ' ' OG1' ' A' ' 26' ' ' THR . 0.5 OUTLIER -165.16 157.08 15.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 25' ' ' SER . 69.1 p 47.51 23.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 25' ' ' SER . . . 105.24 -144.44 15.78 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.0 mm? -77.62 -7.53 56.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' CA ' ' HB3' ' A' ' 47' ' ' LEU . . . 84.26 43.14 7.16 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.541 1.151 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.665 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.4 p90 -170.23 148.24 3.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 0.769 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -97.99 169.16 9.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 1.0 OUTLIER -140.29 160.79 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.2 m -145.85 177.02 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.9 -177.84 26.81 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.29 41.25 1.07 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -134.28 123.41 24.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.78 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 44.5 30.68 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.32 58.34 12.33 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 2.4 pt-20 -85.41 -31.96 22.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 130.95 164.41 11.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.521 1.138 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.9 mm -108.64 147.78 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.592 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 25.6 m-85 -149.92 163.49 37.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 28.1 t -86.94 136.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.487 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -99.78 -13.03 19.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.5 t80 177.93 166.56 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.665 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.5 mm -132.39 121.1 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -54.01 139.48 34.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.606 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -83.05 118.87 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.28 -12.82 67.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.446 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.58 -179.08 13.55 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.43 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -75.01 -30.97 6.58 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.85 -21.67 63.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -98.33 -56.24 2.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.0 mt -48.51 -55.83 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.3 m -40.01 -41.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.21 9.12 86.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -102.21 -55.46 2.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.747 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.943 HD23 HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -74.17 123.72 25.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -135.38 147.62 49.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 9.5 ttm180 -54.01 122.48 10.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 112.76 0.19 25.9 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.031 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.44 116.71 18.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 35.2 ttt180 -74.02 109.57 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.759 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.3 mm -68.31 134.98 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 16' ' ' PRO . 38.7 mt -112.5 -52.99 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 23.5 p -145.58 152.05 39.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.4 t -127.81 140.13 49.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 40.1 28.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.46 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 76.93 56.3 4.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -132.0 147.23 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -90.14 110.43 21.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.737 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.2 mt -122.39 3.84 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -38.08 -40.45 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -132.72 52.45 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -112.06 153.05 27.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.7 p -78.66 160.73 27.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.41 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -42.21 -57.52 2.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.567 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -50.91 -58.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -46.34 -45.55 17.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 83' ' ' ALA . . . -62.85 -39.92 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.29 -46.12 67.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.76 -24.14 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.478 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -74.0 -18.59 60.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 91' ' ' VAL . 1.8 mm? -96.65 -28.09 14.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -16.61 56.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -94.36 -18.44 21.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.18 -144.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.52 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -170.61 -147.91 5.77 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -55.52 -51.59 66.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.281 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.33 104.87 16.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.679 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.7 t -113.24 136.36 49.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.479 HG21 ' HE2' ' A' ' 18' ' ' LYS . 18.9 m -105.33 101.19 10.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.575 HG13 HG22 ' A' ' 67' ' ' VAL . 5.2 mp -101.71 108.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.609 HG13 ' O ' ' A' ' 17' ' ' ARG . 59.4 t -94.44 101.39 12.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.759 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.3 162.8 23.93 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -122.26 114.6 21.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.267 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.32 95.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -135.78 87.07 26.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -30.4 7.22 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.407 ' O ' ' OG ' ' A' ' 103' ' ' SER . 3.2 mt-10 -53.89 -32.79 54.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.494 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 2.9 mm-40 -86.2 -51.83 6.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.506 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -51.12 -28.04 9.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 100' ' ' GLU . 60.8 p -55.34 -27.93 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -63.5 -25.31 68.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 14.3 m-85 -90.83 -46.91 7.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -42.47 -51.88 4.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.31 -50.42 74.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.979 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 m -133.42 103.83 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.89 -150.08 10.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 84.06 1.72 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.3 p -140.85 103.49 4.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.91 159.34 15.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -118.01 96.56 5.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.017 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.7 100.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.95 132.76 3.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t 176.61 108.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 0.768 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -176.71 -56.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -103.54 -114.78 3.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' GLY . 28.9 mmt-85 -38.61 151.78 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 110.291 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.73 36.69 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -119.96 -72.53 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.03 130.66 10.31 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 6.2 m-20 -116.41 37.82 3.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 67.74 64.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.2 -46.19 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.0 mt-10 -75.97 173.06 7.8 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.3 Cg_endo -75.0 135.05 18.57 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.536 1.808 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.598 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.0 ptm180 -118.4 134.57 54.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' HG21 ' A' ' 92' ' ' THR . 4.4 ttpt -74.31 107.63 6.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.654 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.5 mt -109.71 109.39 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.502 HG13 HG23 ' A' ' 92' ' ' THR . 4.0 mt -101.07 114.03 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.722 ' HB2' HD12 ' A' ' 28' ' ' LEU . 1.2 mm? -105.59 144.24 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -100.05 102.14 13.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 mtmt -46.44 113.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.52 -48.99 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.16 -62.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p -63.27 -54.91 29.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.516 1.135 . . . . 0.0 110.374 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.57 -139.14 2.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.722 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.4 mm? -91.56 -10.12 41.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.52 34.01 10.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -162.35 144.61 11.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -95.03 176.29 6.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -144.91 151.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.0 m -134.1 177.25 7.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.56 -159.42 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.81 33.86 6.21 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' C ' ' N ' ' A' ' 38' ' ' GLY . 2.9 mt-10 -126.66 119.42 26.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 43.82 28.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.28 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.9 60.31 8.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -85.46 -31.68 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.28 142.62 5.21 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.8 mm -85.86 154.24 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 67.7 m-85 -155.78 152.28 28.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.67 HG21 HD21 ' A' ' 58' ' ' LEU . 61.4 t -70.78 136.81 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.494 ' HB3' HG13 ' A' ' 33' ' ' VAL . 0.3 OUTLIER -101.57 -35.61 9.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.045 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 36.2 t80 -161.36 164.35 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.7 HD11 HD22 ' A' ' 58' ' ' LEU . 1.1 mm -133.26 122.03 44.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.5 tp -58.93 152.81 18.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.54 110.95 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.36 -14.14 36.27 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.421 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.04 -178.15 13.68 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.94 -33.17 4.87 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.508 1.794 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.64 -25.18 64.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -93.58 -57.32 2.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.9 mt -48.55 -55.72 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.6 m -40.38 -44.55 1.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 -2.06 86.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -88.13 -61.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -72.65 142.97 48.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -169.19 166.23 10.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -58.59 116.01 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.36 33.11 1.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.51 151.12 38.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.664 ' NH1' HD23 ' A' ' 65' ' ' LEU . 46.7 ttt-85 -114.17 99.8 7.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.002 HD13 ' HB2' ' A' ' 95' ' ' ALA . 41.1 mm -57.67 129.27 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD23 ' NH1' ' A' ' 63' ' ' ARG . 17.9 mt -110.34 -53.37 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 4.3 p -142.86 156.12 44.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 93' ' ' ILE . 2.6 t -127.48 115.86 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 63.48 31.9 14.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.97 43.4 27.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 66' ' ' SER . 98.0 t -123.83 125.46 71.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 109.35 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -67.57 113.25 5.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 75' ' ' ALA . 20.0 mt -130.88 14.3 5.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -44.66 -69.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.45 39.83 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.511 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -97.03 147.86 23.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.4 p -65.71 174.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.3 t-160 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.626 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.829 ' OE1' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -61.92 -60.74 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -45.22 -25.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.12 -40.37 19.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -74.17 -48.12 31.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.829 ' HB2' ' OE1' ' A' ' 78' ' ' GLU . . . -53.55 -28.12 29.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.481 ' CB ' HD11 ' A' ' 72' ' ' LEU . . . -68.85 -15.79 63.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 28' ' ' LEU . 2.0 mm? -97.02 -18.07 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 -24.85 23.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.34 -7.99 46.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.779 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -73.45 -141.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.481 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -168.7 -140.18 2.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -51.51 20.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 0.802 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.99 96.82 8.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.779 HG22 ' HB1' ' A' ' 87' ' ' ALA . 17.3 t -108.81 124.29 65.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.502 HG23 HG13 ' A' ' 20' ' ' ILE . 29.3 m -91.69 100.94 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.89 104.88 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 55.8 t -94.58 101.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.002 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -124.89 141.65 51.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' NE2' HD11 ' A' ' 65' ' ' LEU . 3.5 pt20 -106.75 123.9 48.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -57.14 100.31 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -119.88 89.42 42.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -17.69 19.42 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.2 -33.04 63.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.4 mm-40 -85.71 -68.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 22.1 t80 -36.75 -33.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 101' ' ' GLU . 71.8 p -46.29 -43.62 15.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 101' ' ' GLU . 31.5 mtt-85 -49.73 -37.45 29.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -83.41 -47.05 11.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -46.66 -47.51 20.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -57.38 12.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.0 t -40.95 -53.89 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.031 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 155.31 147.7 4.79 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 119.4 5.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.55 1.816 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.83 101.37 10.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.1 m 61.89 94.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.02 145.84 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.731 . . . . 0.0 110.05 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 79.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.6 176.74 35.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -159.33 157.62 30.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 0.787 . . . . 0.0 110.0 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -161.5 169.85 21.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.14 131.56 6.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.0 mtt-85 -144.72 147.66 36.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.14 16.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.9 -167.12 15.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.81 87.21 0.26 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.57 85.79 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.55 78.66 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -114.33 -54.59 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.339 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.9 mt-10 -57.79 173.49 0.37 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.647 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.2 Cg_endo -75.02 132.8 15.81 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.429 1.752 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.599 ' CG ' HD11 ' A' ' 19' ' ' ILE . 3.9 ptm180 -100.81 145.71 28.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.556 ' CE ' HG21 ' A' ' 92' ' ' THR . 0.0 OUTLIER -79.34 111.7 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.599 HD11 ' CG ' ' A' ' 17' ' ' ARG . 3.1 mt -114.31 131.4 66.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.6 mt -117.6 103.16 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.756 HD23 HD13 ' A' ' 93' ' ' ILE . 1.4 mm? -98.87 137.61 37.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -102.7 104.12 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -42.35 112.24 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.61 -57.41 1.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.34 -55.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.536 0.786 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.604 ' OG1' HD22 ' A' ' 47' ' ' LEU . 6.3 p -89.17 57.01 3.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.24 -136.48 32.39 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 21' ' ' LEU . 1.9 mm? -91.94 -9.14 44.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 81.98 44.85 7.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.2 p90 -169.53 143.36 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 2.1 t-20 -95.0 174.67 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 pt -143.79 152.87 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -141.77 172.16 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.25 -154.61 19.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.528 1.142 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 86.79 2.5 84.27 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 37' ' ' ASP . 1.6 mm-40 -86.25 101.14 12.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.339 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 36' ' ' GLU . 4.5 m-20 82.67 -49.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 133.9 43.26 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -82.24 -18.78 41.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.76 171.48 13.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.3 mm -114.66 149.21 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 43.4 m-85 -150.34 149.0 29.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.574 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 19.8 t -67.77 138.14 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.528 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -99.82 -17.43 17.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.035 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.447 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 45.3 t80 178.23 162.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.532 HD11 ' HG ' ' A' ' 58' ' ' LEU . 1.1 mt -132.86 115.41 24.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.604 HD22 ' OG1' ' A' ' 26' ' ' THR . 5.3 tp -48.76 153.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.53 111.77 23.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.38 -10.9 54.38 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.032 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -65.72 178.73 11.25 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.478 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -32.66 5.24 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -73.86 -15.2 61.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' OD2' HG22 ' A' ' 46' ' ' ILE . 1.7 t70 -101.54 -50.77 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 14.7 mt -54.98 -50.33 69.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 62.3 m -40.36 -49.35 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.29 -7.87 69.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mt-10 -89.83 -59.6 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' HG ' HD11 ' A' ' 46' ' ' ILE . 4.2 tp -67.19 129.05 38.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' NE ' ' CE1' ' A' ' 97' ' ' TYR . 1.2 ppt_? -137.2 159.04 43.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.48 ' O ' ' CZ ' ' A' ' 59' ' ' ARG . 11.5 ttt180 -70.51 102.6 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 59' ' ' ARG . . . 135.04 -10.39 4.48 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.44 1.088 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.09 148.47 50.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.679 ' O ' HD22 ' A' ' 65' ' ' LEU . 45.5 ttt180 -97.97 111.24 23.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 95' ' ' ALA . 4.7 mm -68.58 98.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.679 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.0 mm? -72.3 -55.93 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -145.44 157.73 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.0 t -127.79 137.78 56.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 39.78 28.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 78.18 56.83 3.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -133.18 143.01 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -88.63 109.96 20.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.731 ' HG ' HG13 ' A' ' 70' ' ' VAL . 15.7 mt -121.16 -3.3 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LEU . 8.1 mtp180 -36.99 -35.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -133.28 49.46 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.43 146.68 42.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.455 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 61.1 p -64.57 178.62 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.436 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' N ' ' HA3' ' A' ' 35' ' ' GLY . 13.3 t-160 -64.61 -54.2 35.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.61 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -57.51 -40.95 79.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -63.66 -34.72 78.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.236 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.91 -23.71 52.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.72 -42.97 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.33 -19.48 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -78.62 -17.29 56.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.6 mm? -96.2 -14.31 22.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.361 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.6 -23.61 23.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -90.56 -14.59 32.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -63.51 -140.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.557 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -177.0 -148.43 7.16 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -63.76 -51.45 64.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.89 100.94 10.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.1 t -111.1 140.91 28.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.556 HG21 ' CE ' ' A' ' 18' ' ' LYS . 99.3 m -107.05 101.16 10.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.756 HD13 HD23 ' A' ' 21' ' ' LEU . 3.6 mp -98.22 113.49 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.647 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -102.57 100.98 11.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -125.5 155.48 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.492 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -119.26 128.13 53.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CE1' ' NE ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -59.96 94.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.59 88.41 52.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -18.65 18.58 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.12 -44.86 83.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -74.13 -62.37 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.359 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.574 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 9.0 t80 -37.29 -36.03 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' TYR . 2.2 t -38.81 -41.85 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -52.27 -52.03 55.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 33' ' ' VAL . 56.5 m-85 -72.03 -47.28 52.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -41.35 -50.1 3.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.23 -59.18 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -79.22 86.97 4.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -101.16 -163.21 27.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.7 t -42.5 -52.34 4.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.84 -76.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -170.02 107.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.8 153.59 19.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.42 129.44 1.96 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.92 117.4 9.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 p -89.44 150.69 22.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.1 -122.31 0.61 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.98 155.48 0.12 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.787 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 146.75 33.01 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.462 1.769 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.06 -152.91 24.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.33 -86.16 1.91 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -170.46 33.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' ARG . . . -177.78 -111.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' ALA . 1.6 mpt_? 74.07 -49.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -69.49 174.79 2.65 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 156.67 43.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.773 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -141.33 -179.41 6.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD3' HD11 ' A' ' 20' ' ' ILE . 0.1 OUTLIER -107.5 122.68 47.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.331 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.819 HG22 HD21 ' A' ' 21' ' ' LEU . 4.9 mt -126.0 107.92 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 ' HD3' ' A' ' 18' ' ' LYS . 6.6 mt -98.86 106.39 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.958 ' HB2' HD22 ' A' ' 28' ' ' LEU . 1.7 mm? -100.94 136.18 41.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -95.15 107.43 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.573 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -51.56 110.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.75 -66.08 3.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.5 -45.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -121.91 63.72 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.08 164.76 24.85 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.958 HD22 ' HB2' ' A' ' 21' ' ' LEU . 29.3 mt -63.21 -71.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.762 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 150.91 49.46 0.02 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.647 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 10.4 p90 -172.55 152.51 2.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.053 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 2.9 t-20 -95.03 171.73 8.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 1.6 pt -140.79 153.98 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.476 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.8 m -140.06 174.56 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.05 -166.91 13.53 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.17 37.17 4.69 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -126.77 116.13 20.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 43.76 38.8 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 52.22 63.68 4.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.113 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.5 OUTLIER -93.14 -29.56 15.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.317 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 131.01 -172.23 20.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 64' ' ' ILE . 6.6 mm -131.32 135.76 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 66.6 m-85 -138.66 156.58 47.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.55 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 40.1 t -76.49 136.66 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.476 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -101.01 -15.63 17.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.973 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.443 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 16.5 t80 -179.96 160.86 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.529 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 2.3 mm -128.47 124.2 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' HA3' ' A' ' 50' ' ' GLY . 10.0 tp -53.04 156.17 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.29 123.4 36.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.73 -0.74 60.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.47 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -71.46 -174.02 18.76 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' CG ' ' O ' ' A' ' 28' ' ' LEU . 18.5 Cg_endo -74.96 -36.27 2.68 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -69.64 -23.27 63.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -56.55 2.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' SER . 15.2 mt -47.31 -56.85 6.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' LEU . 60.1 p -38.69 -44.18 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.96 -16.76 45.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.06 -54.54 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.753 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -70.33 123.4 21.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 58' ' ' LEU . 2.6 mtt180 -137.85 150.62 47.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 31.1 ttp180 -66.64 104.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 143.77 -21.84 2.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.17 173.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 0.763 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -124.35 105.63 9.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' A' ' 95' ' ' ALA . 16.0 mm -62.2 122.82 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 25.6 mt -99.76 -54.41 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 5.1 p -138.15 160.17 40.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 70' ' ' VAL . 3.8 t -123.21 106.67 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 67' ' ' VAL . 2.3 t-20 75.0 -55.5 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 179.16 35.45 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.678 HG13 ' HG ' ' A' ' 72' ' ' LEU . 9.5 p -116.48 143.25 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.794 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -89.05 103.05 15.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.678 ' HG ' HG13 ' A' ' 70' ' ' VAL . 9.6 mt -113.0 14.49 19.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.7 mtp85 -43.99 -38.49 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -138.96 50.99 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.53 166.59 10.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 40.2 p -73.38 173.77 9.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.413 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' NE2' ' O ' ' A' ' 32' ' ' ILE . 11.4 t-160 -66.62 -51.34 57.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 109.589 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -60.17 -37.82 81.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -58.9 -50.48 73.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.662 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -60.13 -24.12 64.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.2 -40.27 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.28 -21.08 63.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.524 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -79.92 -19.82 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 HD23 HG11 ' A' ' 91' ' ' VAL . 40.3 mt -93.64 -21.58 19.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.0 -21.78 31.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -12.38 28.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.345 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.659 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.9 -143.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.486 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -161.82 -144.77 4.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -68.89 -51.37 40.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.44 93.34 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.659 HG22 ' HB1' ' A' ' 87' ' ' ALA . 19.3 t -103.19 122.43 55.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.2 m -91.96 101.12 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.432 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -98.96 119.72 47.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ARG . 75.7 t -101.36 100.99 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -120.64 165.95 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -129.49 117.67 20.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.65 97.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.03 83.58 45.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -19.04 18.26 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.6 -28.78 69.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.6 mm-40 -87.87 -67.14 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 76.8 t80 -40.03 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 101' ' ' GLU . 13.1 t -38.63 -44.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -52.05 -52.94 47.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -66.41 -16.64 64.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.453 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.1 mm-40 -76.22 -53.58 8.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.39 -52.76 51.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 138.78 24.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.14 -165.6 38.27 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.11 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.531 1.806 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.9 t -121.81 97.34 5.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.7 m 67.85 156.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.983 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.81 168.42 14.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -162.36 127.48 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.66 175.64 16.25 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.67 163.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.033 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p 179.72 156.77 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.78 166.4 10.97 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -131.23 134.38 25.71 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 110.287 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 57.93 4.76 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 39.04 -114.09 0.35 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' HA3' ' NE ' ' A' ' 14' ' ' ARG . . . -51.07 -176.55 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -145.28 39.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -177.14 67.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.418 ' NE ' ' HA3' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -136.89 -45.91 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.2 mt-10 -68.2 172.91 3.71 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.689 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -74.98 140.34 25.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.8 ptm180 -122.74 136.24 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.33 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 112.53 9.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.2 mt -114.67 112.5 40.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.56 HG13 HG23 ' A' ' 92' ' ' THR . 5.7 mt -98.23 102.67 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.835 HD21 HD12 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -94.6 136.96 34.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -103.3 99.41 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -42.15 112.43 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.15 -42.89 6.87 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.31 -78.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 110.022 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 26' ' ' THR . 69.5 p -45.83 -31.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 161.04 -140.72 6.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 21' ' ' LEU . 19.3 mt -93.95 -8.96 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 28.25 26.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.662 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 2.4 p90 -167.23 144.42 4.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -95.33 176.3 6.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 pt -137.35 155.3 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 42' ' ' PHE . 1.1 m -143.01 169.72 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.55 177.39 38.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' CA ' ' HA ' ' A' ' 76' ' ' THR . . . 114.62 35.0 1.47 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.03 109.92 16.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.8 t70 61.57 18.41 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.96 66.77 2.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -101.0 -22.83 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 0.787 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.62 171.53 13.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.567 1.167 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.3 mm -118.63 148.2 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.621 ' O ' HG22 ' A' ' 33' ' ' VAL . 33.4 m-85 -152.15 141.72 21.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 55.7 t -59.89 141.93 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.603 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -101.2 -32.53 10.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.531 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 35.6 t80 -164.15 166.78 20.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -134.33 124.58 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.0 tp -66.9 152.22 46.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.93 111.18 22.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 107.19 -12.93 40.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.87 -177.62 15.22 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.463 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.97 -28.47 9.2 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.662 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -71.37 -40.59 70.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.69 -58.25 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.7 mt -47.01 -53.32 12.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 14.3 p -39.65 -40.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.04 -6.73 61.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -88.87 -55.23 3.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -67.46 145.72 54.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' H ' HD23 ' A' ' 58' ' ' LEU . 6.9 mtt180 -149.43 156.63 42.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 46' ' ' ILE . 2.9 ttm180 -69.62 112.67 6.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 126.59 -23.4 5.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.24 153.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 43.5 ttt180 -108.92 105.22 14.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' A' ' 95' ' ' ALA . 7.2 mm -59.82 132.07 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 16' ' ' PRO . 34.0 mt -111.74 -52.06 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 31.3 p -147.28 153.95 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.817 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.3 t -128.04 131.37 69.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 49.1 21.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 84.27 51.45 3.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.817 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.6 p -127.25 146.47 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -88.76 109.79 20.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.749 ' HG ' HG13 ' A' ' 70' ' ' VAL . 25.3 mt -119.02 -0.88 11.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' LEU . 3.2 mtp-105 -37.36 -40.87 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.167 . . . . 0.0 110.342 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.52 51.43 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -114.98 152.81 31.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.446 ' HA ' ' CA ' ' A' ' 35' ' ' GLY . 14.1 p -76.53 166.6 23.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -52.76 -40.45 63.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 109.596 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 82' ' ' ALA . 18.5 tt0 -65.46 -59.03 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -47.4 -44.13 24.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.41 -32.09 73.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -81.01 -30.96 34.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . . . -66.46 -25.1 66.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.422 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -75.08 -16.64 60.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.092 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.682 HD12 HD11 ' A' ' 28' ' ' LEU . 1.6 mm? -97.01 -29.22 13.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' CE ' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -78.15 -26.32 47.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -11.89 43.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -70.54 -143.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.04 -126.05 0.8 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -89.54 -50.95 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.27 94.24 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.99 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 87' ' ' ALA . 12.6 t -107.63 139.06 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.56 HG23 HG13 ' A' ' 20' ' ' ILE . 23.1 m -101.71 100.64 11.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.438 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 67' ' ' VAL . 3.8 mp -97.79 111.01 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.29 100.94 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.559 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -123.98 158.19 32.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 2.8 pt20 -126.48 123.38 37.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.28 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.48 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.1 83.75 50.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.63 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.47 1.774 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -41.42 -53.28 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 3.1 mt-10 -67.59 -62.89 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 60.5 t80 -41.4 -35.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t -48.62 -29.71 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.51 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -62.16 -29.95 70.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -85.85 -40.87 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -48.84 -60.21 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -60.7 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 t -128.01 117.66 22.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -174.32 -173.08 40.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 76.2 3.48 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.493 1.786 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.73 93.67 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 166.6 18.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -176.49 149.44 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.8 169.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.34 161.42 35.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 144.02 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.46 170.1 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.95 -61.33 0.54 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 61.94 157.12 0.12 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.345 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 136.5 20.63 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -108.22 124.48 7.49 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.76 178.31 16.7 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 14' ' ' ARG . 0.9 OUTLIER -93.59 24.39 4.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 0.73 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 65.47 90.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' CZ ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -125.86 -59.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.4 mt-10 -51.58 173.95 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.95 123.72 8.12 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.8 ptp85 -95.06 174.83 6.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.4 131.25 53.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.57 1.169 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.565 HG22 ' CD2' ' A' ' 21' ' ' LEU . 4.3 mt -132.55 136.87 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' O ' HG22 ' A' ' 20' ' ' ILE . 5.5 mt -120.26 95.48 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.848 HD23 HD13 ' A' ' 93' ' ' ILE . 1.7 mm? -88.6 136.9 32.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -102.26 102.77 13.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.556 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -40.75 111.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.6 -60.09 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.31 -50.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 110.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.9 p -75.12 -47.26 29.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.396 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.05 -133.4 2.16 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.5 mm? -93.97 -8.45 40.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.7 45.4 9.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.675 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.5 p90 -174.14 151.74 1.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.776 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -106.2 168.98 8.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.555 HG23 ' HE1' ' A' ' 30' ' ' PHE . 1.3 pt -133.48 157.29 42.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 3.1 m -139.79 177.6 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.6 -156.34 17.12 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.91 35.88 6.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -129.38 117.32 20.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 42.09 38.8 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.17 54.62 14.55 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.043 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 1.1 pp20? -80.92 -26.9 36.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 124.1 153.04 8.53 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.503 HG23 ' O ' ' A' ' 33' ' ' VAL . 4.8 mm -100.38 142.46 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 38.4 m-85 -144.06 158.73 43.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 60' ' ' ARG . 28.2 t -78.41 132.47 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.537 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -95.91 -26.81 15.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 50.6 t80 -167.41 161.7 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.675 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.1 mm -132.49 118.17 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tp -52.43 149.47 5.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.26 113.94 25.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 98.58 -8.67 62.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -68.31 -177.67 13.54 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.96 -33.28 4.76 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.538 1.809 . . . . 0.0 111.018 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.37 -21.85 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -96.38 -56.42 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 23.4 mt -49.52 -55.27 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 51' ' ' PRO . 75.5 m -40.44 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.88 2.56 71.35 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.2 mm-40 -95.09 -57.15 2.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.609 ' HG ' HD11 ' A' ' 46' ' ' ILE . 2.6 tp -69.08 129.36 39.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -143.53 141.51 30.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.277 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 13.6 ttp-105 -51.24 119.27 3.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.4 -18.65 8.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.22 128.89 38.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 15.6 ttt180 -82.3 116.14 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.951 HD13 ' HB2' ' A' ' 95' ' ' ALA . 11.7 mm -72.0 103.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.6 mm? -71.84 -55.53 7.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 m -148.13 163.96 35.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 93' ' ' ILE . 2.2 t -127.51 138.77 53.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 40.23 33.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 74.67 47.96 14.02 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' VAL . 79.7 t -129.39 110.72 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -53.65 103.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' A' ' 80' ' ' ALA . 14.8 mt -101.45 2.51 39.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -37.72 -70.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -100.17 41.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -100.14 142.5 31.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 p -76.59 162.88 27.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.377 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HD2' HD12 ' A' ' 32' ' ' ILE . 15.1 t-160 -46.31 -51.05 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -60.61 -48.95 79.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -54.21 -40.87 68.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -66.18 -30.36 70.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.85 -45.55 18.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.77 -27.47 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.31 -19.29 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.7 mt -96.74 -32.32 12.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -70.86 -18.1 62.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.67 -21.98 18.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.749 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -61.79 -140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.553 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -179.01 -146.78 6.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -56.79 -51.55 68.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.78 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.69 109.55 21.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.749 HG22 ' HB1' ' A' ' 87' ' ' ALA . 4.8 t -121.24 131.05 73.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 m -97.85 101.24 12.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.848 HD13 HD23 ' A' ' 21' ' ' LEU . 2.0 mp -97.14 115.04 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 57.9 t -102.77 101.69 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.951 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -129.41 152.73 48.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.2 pt20 -111.8 127.04 55.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.26 90.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -125.29 82.4 62.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -20.07 17.37 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.38 -36.56 82.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.328 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 5.3 mm-40 -76.65 -68.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' SER . 32.3 t80 -38.73 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 28.2 t -38.74 -42.53 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.978 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -53.36 -53.19 54.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -67.95 -37.62 81.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -41.31 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.14 -55.38 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.07 102.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.034 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -114.6 -165.59 15.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 60.21 5.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 71.3 m -88.39 105.03 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.1 m -100.7 -58.76 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.952 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.11 163.32 2.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 64.38 168.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.96 79.71 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.038 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.74 123.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.98 135.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.54 88.98 0.5 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -130.18 147.46 65.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 172.59 16.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.36 133.19 1.57 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.18 144.91 12.11 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -148.67 25.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.632 ' HB1' HH12 ' A' ' 17' ' ' ARG . . . 54.19 68.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.8 mmt-85 -125.27 -44.5 1.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.5 mt-10 -77.22 173.87 6.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.865 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.4 Cg_endo -74.99 115.26 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.632 HH12 ' HB1' ' A' ' 13' ' ' ALA . 1.9 ptm180 -91.7 140.93 29.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.326 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.627 ' HD3' HD11 ' A' ' 20' ' ' ILE . 15.2 ttmt -73.59 109.44 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 57' ' ' GLU . 7.5 mt -113.05 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.5 mt -87.33 107.73 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.887 HD11 HD12 ' A' ' 58' ' ' LEU . 87.0 mt -105.08 141.07 37.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 23' ' ' LYS . 30.4 m80 -100.95 102.39 13.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.653 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 22' ' ' HIS . 7.4 mtmt -39.86 111.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.36 -44.69 21.3 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.06 -60.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.3 p -67.28 -51.75 48.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.1 -140.79 3.2 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 ' CD2' HD22 ' A' ' 84' ' ' LEU . 2.4 mm? -90.33 -9.77 46.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.44 34.36 12.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' A' ' 28' ' ' LEU . 2.2 p90 -161.01 147.34 14.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -94.89 173.62 7.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.423 HG13 ' NE2' ' A' ' 77' ' ' HIS . 7.9 pt -143.19 150.23 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.509 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.3 m -136.5 176.8 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.19 -153.99 16.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.99 32.2 11.09 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 39' ' ' GLU . 3.5 mt-10 -124.49 121.29 34.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 40.88 32.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 56.53 47.22 85.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' OE1' ' CZ ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -74.16 -24.38 59.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 110.307 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 119.86 166.41 13.26 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.5 mm -106.23 145.68 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 27.8 m-85 -147.33 155.26 41.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG21 ' CD2' ' A' ' 58' ' ' LEU . 50.6 t -74.27 134.62 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.54 -29.36 13.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.47 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 27.7 t80 -169.76 162.88 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -127.17 119.02 51.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.4 tp -57.31 151.95 15.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -96.47 111.4 23.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 109.73 -16.28 31.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.87 -176.16 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.96 -31.67 6.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.034 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -72.1 -9.56 58.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -110.91 -54.35 2.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 84.6 mt -58.33 -53.13 61.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.356 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 20.8 t -46.49 -25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 84.03 -8.25 67.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG23 ' A' ' 19' ' ' ILE . 3.1 mm-40 -97.88 178.11 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.887 HD12 HD11 ' A' ' 21' ' ' LEU . 0.5 OUTLIER 58.27 155.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 1.17 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' H ' HD23 ' A' ' 58' ' ' LEU . 8.9 ptt180 -176.18 158.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 43' ' ' VAL . 2.6 ttt-85 -58.86 119.07 6.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.28 31.53 3.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 47.2 ttt-85 -66.68 119.76 12.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' A' ' 95' ' ' ALA . 3.7 mm -75.8 98.66 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 ' HG2' ' A' ' 96' ' ' GLN . 4.0 mm? -70.39 -55.49 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -145.15 161.33 39.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 72' ' ' LEU . 2.5 t -127.47 108.55 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 64.43 37.36 8.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 38.84 50.72 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.1 t -122.8 116.38 48.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -62.5 115.11 3.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 67' ' ' VAL . 22.4 mt -128.56 15.23 6.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.413 ' O ' ' NH2' ' A' ' 63' ' ' ARG . 54.4 mtp180 -39.24 -55.14 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -119.08 63.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.04 148.33 41.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -67.2 149.23 50.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.157 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.423 ' NE2' HG13 ' A' ' 32' ' ' ILE . 23.0 t-160 -42.91 -42.28 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 10.4 tt0 -63.02 -53.07 59.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -47.89 -49.77 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.86 -25.16 63.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 78' ' ' GLU . . . -84.68 -47.43 10.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.2 -29.45 65.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.02 -15.31 61.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.605 HD22 ' CD2' ' A' ' 28' ' ' LEU . 41.2 mt -93.03 -34.61 13.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -24.03 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -13.16 37.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.637 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -66.5 -137.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.586 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.29 -150.45 7.92 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.08 -51.72 62.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 0.781 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.17 95.33 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.027 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.637 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.2 t -110.11 119.47 59.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.474 HG23 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -87.45 100.22 12.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 91' ' ' VAL . 5.0 mp -94.54 106.79 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.865 HG12 ' HB2' ' A' ' 16' ' ' PRO . 21.4 t -98.81 101.39 12.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.77 154.45 44.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.543 ' HG2' HD21 ' A' ' 65' ' ' LEU . 1.4 pt20 -124.62 128.03 48.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -51.45 156.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.56 88.18 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -48.42 -36.19 14.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -80.66 -69.27 0.61 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -41.62 -36.17 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 97.6 p -47.42 -32.09 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -59.27 -25.74 64.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -94.33 -50.04 5.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 107' ' ' SER . 0.0 OUTLIER -41.33 -33.54 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.27 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -73.69 -58.96 2.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.3 100.85 7.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.9 -173.71 28.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 78.92 2.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.546 1.813 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.76 95.82 3.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.7 m -111.14 94.68 5.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.966 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.536 1.148 . . . . 0.0 110.952 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p -168.37 140.03 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 0.731 . . . . 0.0 109.956 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.54 162.21 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.09 -148.23 5.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.14 113.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.53 152.47 2.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.028 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.42 131.18 10.47 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -137.09 158.71 72.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.92 3.81 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.65 93.24 0.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.22 86.77 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.86 85.92 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 0.734 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.44 67.58 4.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -113.98 -43.5 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.8 mt-10 -66.43 173.7 2.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.599 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.3 Cg_endo -74.99 137.57 21.91 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.551 1.816 . . . . 0.0 110.98 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' CG ' HD11 ' A' ' 19' ' ' ILE . 2.3 ptm180 -113.34 142.52 45.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.727 ' HG3' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -76.09 107.21 8.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.704 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.5 mt -104.44 89.04 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.725 HG13 HG23 ' A' ' 92' ' ' THR . 3.6 mt -79.74 103.43 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 58' ' ' LEU . 78.8 mt -100.9 147.01 26.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' LYS . 57.3 m170 -114.45 95.85 5.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 28' ' ' LEU . 5.4 mttm -39.33 119.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.49 -38.94 7.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m 172.0 -64.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.776 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 p -55.51 -32.83 63.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 154.18 -141.27 8.1 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.12 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 84' ' ' LEU . 67.3 mt -94.3 -12.01 28.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.7 31.5 53.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -163.62 142.33 7.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 111.034 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.0 176.59 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' NE2' ' A' ' 77' ' ' HIS . 2.6 pt -139.94 163.1 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.555 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.8 m -148.48 177.51 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.91 -162.83 13.41 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.35 29.8 8.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -120.81 117.87 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 0.731 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 50.12 23.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.83 58.62 13.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 0.3 OUTLIER -88.5 -24.48 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 110.308 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 126.34 171.11 13.07 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.6 mm -110.28 143.97 19.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.486 0.757 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 101' ' ' GLU . 60.8 m-85 -144.21 156.46 44.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.744 HG21 ' CD2' ' A' ' 58' ' ' LEU . 55.7 t -74.45 133.72 30.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.555 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -94.23 -33.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 73.7 t80 -164.53 165.02 21.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.752 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -135.5 120.27 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -61.84 139.37 58.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -85.5 108.45 17.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.02 -9.95 31.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.4 -172.68 15.04 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -75.01 -32.99 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.64 -39.77 76.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 15.1 mt -45.76 -57.76 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 86.4 p -44.41 -43.69 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.81 -9.19 63.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' CB ' HG12 ' A' ' 19' ' ' ILE . 18.7 mm-40 -73.39 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -68.65 137.96 54.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -141.83 144.19 33.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.1 116.7 4.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.66 8.67 12.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.08 140.12 29.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 9.9 ttt180 -91.52 111.77 23.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.033 HD13 ' HB2' ' A' ' 95' ' ' ALA . 13.1 mm -67.5 104.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.4 mm? -74.01 -56.19 5.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.3 p -143.73 158.88 43.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.077 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.761 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.2 t -128.01 137.13 58.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' VAL . 21.2 t-20 39.43 29.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 78.04 57.27 3.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.513 1.133 . . . . 0.0 110.942 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -134.61 144.87 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.25 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -87.75 110.31 20.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.739 ' HG ' HG13 ' A' ' 70' ' ' VAL . 12.6 mt -122.65 -1.19 9.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 32.7 mtp85 -37.22 -32.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 72' ' ' LEU . 21.1 m-80 -137.96 57.11 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.99 160.53 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.4 p -87.13 158.41 19.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 2.3 t-160 -41.86 -50.94 4.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -56.87 -56.51 20.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -50.46 -48.95 56.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -31.36 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.28 -43.57 32.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.8 -18.98 9.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HA ' ' CD ' ' A' ' 86' ' ' ARG . . . -80.31 -27.79 38.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD12 HD11 ' A' ' 28' ' ' LEU . 2.0 mm? -87.23 -14.46 40.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.41 -26.15 18.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER -89.96 -8.26 52.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.681 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -75.87 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -169.55 -138.65 2.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.154 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -75.4 -52.5 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.777 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.09 92.96 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG22 ' HB1' ' A' ' 87' ' ' ALA . 10.6 t -108.12 133.29 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.725 HG23 HG13 ' A' ' 20' ' ' ILE . 99.9 m -100.16 99.99 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.401 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.803 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.0 mp -97.17 108.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.727 HG22 ' HG3' ' A' ' 18' ' ' LYS . 12.2 t -96.5 101.56 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 1.033 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -126.46 150.4 48.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.475 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 1.6 pt20 -110.19 130.83 55.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.44 95.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -129.56 85.11 59.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.54 18.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.574 1.828 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -61.76 -44.69 96.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -68.76 -61.86 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.538 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 24.4 t80 -36.43 -35.62 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.9 t -39.24 -35.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -59.06 -50.57 73.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.471 ' CE2' HG23 ' A' ' 33' ' ' VAL . 39.7 m-85 -71.17 -35.02 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.82 -49.41 75.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.73 -59.34 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.74 97.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -121.32 -174.31 14.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -52.69 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.47 169.41 3.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.76 -58.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.79 133.57 34.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -135.07 115.94 14.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.99 126.8 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -69.04 154.82 41.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 m -69.45 -61.75 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.44 -130.45 1.85 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -136.42 147.51 60.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.87 31.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.47 1.774 . . . . 0.0 110.979 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.71 165.09 25.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.17 -156.85 8.8 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.76 31.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.98 90.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.08 -61.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' C ' ' HG2' ' A' ' 96' ' ' GLN . 3.2 mt-10 -48.03 173.4 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.942 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.6 3.83 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.548 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -78.87 130.43 35.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HG2' HG22 ' A' ' 92' ' ' THR . 5.8 tttt -73.13 98.4 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.927 HD13 HD13 ' A' ' 58' ' ' LEU . 3.5 mt -97.58 141.89 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.605 HG13 HG23 ' A' ' 92' ' ' THR . 6.0 mt -124.98 92.67 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.784 ' CD2' HD13 ' A' ' 93' ' ' ILE . 0.9 OUTLIER -86.49 137.79 32.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 89' ' ' GLN . 24.9 m-70 -103.69 96.42 6.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.608 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.35 110.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.14 -63.45 2.39 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.474 1.109 . . . . 0.0 111.048 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.93 -50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -66.47 -47.36 73.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.22 -143.24 6.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD22 ' HB2' ' A' ' 21' ' ' LEU . 16.3 mt -93.85 -9.25 37.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 77.59 42.45 17.63 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.602 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.2 p90 -177.9 149.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.24 173.17 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.449 HG23 ' HE1' ' A' ' 30' ' ' PHE . 4.6 pt -131.86 159.91 42.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 42' ' ' PHE . 3.6 m -143.31 177.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.02 -161.62 28.1 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.482 1.114 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.93 15.42 39.36 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.33 129.38 56.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 0.737 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 46.16 34.62 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 45.39 53.88 7.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -84.73 -33.08 23.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 139.63 -173.51 22.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 3.9 mm -132.82 140.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.791 ' O ' HG22 ' A' ' 33' ' ' VAL . 34.0 m-85 -147.09 151.95 37.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.565 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 31.0 t -68.46 135.72 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.588 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -95.19 -30.02 14.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.015 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 55.9 t80 -166.11 165.2 17.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.2 mm -135.61 117.2 20.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 3.4 tp -55.37 152.65 8.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -93.49 109.65 21.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 104.67 -8.05 46.54 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -68.34 -177.87 14.14 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.04 -34.68 3.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 58' ' ' LEU . . . -70.83 -21.7 62.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -96.34 -53.07 3.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 55' ' ' SER . 26.7 mt -54.39 -54.56 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 54' ' ' LEU . 30.8 t -37.06 -39.54 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.48 9.74 81.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -103.91 -69.45 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.927 HD13 HD13 ' A' ' 19' ' ' ILE . 5.9 tp -57.88 132.35 53.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.7 mtt85 -143.93 145.72 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -51.91 102.98 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.03 44.86 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 0.5 OUTLIER -122.7 135.55 54.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.57 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -84.85 116.33 23.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.582 ' HA ' ' HB2' ' A' ' 95' ' ' ALA . 1.8 mm -75.84 119.36 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.056 HD21 ' OE1' ' A' ' 96' ' ' GLN . 4.3 mm? -92.2 -56.69 2.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 p -142.77 160.97 39.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.3 t -123.93 114.33 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 60.33 30.63 19.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.02 39.52 16.29 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.89 117.7 52.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -60.56 120.39 9.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -139.0 14.7 2.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -40.17 -54.58 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -119.67 62.66 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -117.55 151.43 37.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.9 p -65.0 154.7 36.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 110.391 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 18.8 t-160 -46.67 -45.17 19.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.625 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' ALA . 8.1 tt0 -63.23 -52.08 63.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -53.54 -25.82 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.12 -22.7 28.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -88.81 -45.93 9.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.15 -25.89 24.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.75 -22.12 61.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 28' ' ' LEU . 1.4 mm? -90.56 -14.14 33.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -22.67 20.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.51 -9.61 40.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -71.83 -143.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.51 -124.91 0.75 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.2 mt-30 -89.26 -53.17 4.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.766 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.77 94.75 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.796 HG22 ' HB1' ' A' ' 87' ' ' ALA . 15.1 t -109.31 132.03 58.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.605 HG23 HG13 ' A' ' 20' ' ' ILE . 6.6 m -95.14 100.77 12.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.784 HD13 ' CD2' ' A' ' 21' ' ' LEU . 5.2 mp -95.86 111.46 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.942 HG12 ' HB2' ' A' ' 16' ' ' PRO . 5.0 t -103.22 101.38 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 64' ' ' ILE . . . -134.36 151.56 51.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 1.056 ' OE1' HD21 ' A' ' 65' ' ' LEU . 17.1 mt-30 -90.29 155.79 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.45 75.3 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -119.42 90.06 41.68 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.46 20.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -69.53 -38.23 77.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.47 -55.21 5.74 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.256 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.565 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.7 t80 -42.74 -35.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.42 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 83.9 p -47.69 -31.34 4.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -59.09 -24.0 62.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' HB2' ' O ' ' A' ' 102' ' ' TYR . 15.2 m-85 -94.22 -50.68 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 107' ' ' SER . 0.0 OUTLIER -43.27 -32.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.467 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -78.8 -59.42 2.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.58 102.41 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.71 -154.96 42.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 167.16 27.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 t -86.74 144.04 27.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.8 m -153.5 166.23 33.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.145 . . . . 0.0 111.047 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.2 p -130.1 155.18 46.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -64.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.93 -72.03 0.48 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m 58.07 163.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.03 167.89 2.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.48 150.1 16.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.055 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -129.31 141.74 42.84 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 110.32 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -172.81 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.788 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.83 -139.49 4.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 122.34 160.59 10.99 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 m-20 -96.76 24.51 6.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 0.784 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 71.76 83.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.44 -56.37 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.0 mt-10 -47.48 173.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.446 ' HA ' ' HG2' ' A' ' 96' ' ' GLN . 18.5 Cg_endo -74.98 115.83 4.41 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.643 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.7 ptp85 -89.95 173.33 8.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HD3' HD11 ' A' ' 20' ' ' ILE . 1.1 ttmp? -110.68 122.52 48.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.947 HG21 ' HB2' ' A' ' 58' ' ' LEU . 3.1 mt -120.48 102.35 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.428 HD11 ' HD3' ' A' ' 18' ' ' LYS . 3.7 mt -93.1 100.05 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.883 HD11 HD23 ' A' ' 58' ' ' LEU . 28.8 mt -99.09 131.91 44.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -95.76 105.78 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.627 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' CE ' ' O ' ' A' ' 87' ' ' ALA . 6.2 mtmt -42.27 110.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.56 -61.44 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.5 -56.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.961 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -71.26 -51.44 24.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.73 -136.23 2.36 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.878 HD23 HD12 ' A' ' 84' ' ' LEU . 2.6 mm? -93.68 -10.2 35.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 78.54 45.49 9.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.619 ' CB ' HD13 ' A' ' 46' ' ' ILE . 2.0 p90 -169.21 147.65 3.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.38 174.63 5.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 42' ' ' PHE . 6.1 pt -138.12 158.56 32.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 5.0 m -143.12 176.8 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 104.02 -161.14 15.77 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.14 29.95 7.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -123.54 125.98 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 42.02 31.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 49.16 56.24 10.77 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -83.3 -35.44 25.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 136.73 160.91 8.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 33' ' ' VAL . 7.7 mm -100.65 146.06 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 42.6 m-85 -143.35 162.33 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.016 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.708 HG21 HD11 ' A' ' 58' ' ' LEU . 47.0 t -80.41 133.31 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.507 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.0 OUTLIER -96.92 -23.04 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 74.2 t80 -177.78 167.44 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.619 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.2 mm -133.78 120.42 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.621 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.8 tm? -55.4 138.3 46.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -78.28 118.33 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 93.26 -11.1 72.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -63.98 -179.19 5.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.2 Cg_endo -75.0 -29.37 8.29 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.478 1.778 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.612 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -71.75 -32.5 67.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 30.6 t0 -84.07 -58.33 2.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 22.4 mt -46.49 -50.35 17.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.1 p -48.94 -44.71 40.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.057 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.91 -18.73 37.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' CB ' HG12 ' A' ' 19' ' ' ILE . 6.8 mm-40 -72.66 -53.09 12.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.732 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.947 ' HB2' HG21 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -79.11 122.71 26.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.469 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -142.85 148.47 37.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 22.3 ttp-105 -54.31 125.76 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.525 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 121.68 -23.3 7.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.12 161.1 5.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 61.0 ttt180 -117.05 95.75 5.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.576 HD13 ' HB2' ' A' ' 95' ' ' ALA . 24.6 mm -52.54 127.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD11 ' HG3' ' A' ' 96' ' ' GLN . 23.0 mt -112.89 -47.58 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 70' ' ' VAL . 13.6 p -148.24 150.67 34.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 t -125.0 114.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 62.6 44.28 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 63.39 46.15 93.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 72' ' ' LEU . 82.1 t -126.03 118.47 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -65.5 115.2 5.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 80' ' ' ALA . 13.0 mt -137.28 18.56 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.525 ' HG2' HD22 ' A' ' 65' ' ' LEU . 4.8 mtp85 -40.83 -69.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -103.99 52.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HB1' ' CB ' ' A' ' 79' ' ' GLN . . . -104.5 147.63 27.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 61.6 p -64.64 160.87 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -49.51 -37.46 26.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.608 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 81' ' ' ALA . 14.1 tt0 -71.58 -53.65 13.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.251 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.413 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . 62.1 mt-30 -48.65 -36.01 15.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -74.78 -29.13 61.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 78' ' ' GLU . . . -80.6 -34.56 35.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.61 -20.75 5.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 87' ' ' ALA . . . -82.81 -48.31 10.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.878 HD12 HD23 ' A' ' 28' ' ' LEU . 2.0 mm? -57.62 -17.6 15.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.17 -45.23 15.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.04 -7.22 59.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.707 ' HB1' ' CG1' ' A' ' 91' ' ' VAL . . . -67.5 111.38 4.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.471 ' O ' ' CG2' ' A' ' 91' ' ' VAL . . . -72.95 -161.59 6.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -55.58 -52.13 64.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.323 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.76 97.96 10.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.033 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.707 ' CG1' ' HB1' ' A' ' 87' ' ' ALA . 2.5 t -105.26 134.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.7 m -101.69 101.95 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.389 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.06 117.56 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.95 102.06 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.576 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -130.14 156.75 44.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.539 ' HG3' HD11 ' A' ' 65' ' ' LEU . 4.0 mt-30 -104.8 108.61 20.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -52.47 91.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 96' ' ' GLN . 5.9 mmt180 -131.93 89.44 38.62 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -17.7 19.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.503 1.791 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.57 -37.29 82.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 103' ' ' SER . 1.8 mm-40 -74.36 -61.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.583 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 56.9 t80 -39.29 -27.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 101' ' ' GLU . 29.5 t -38.19 -44.11 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -51.04 -53.89 29.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -65.71 -35.99 82.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.564 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.4 mm-40 -53.53 -54.92 30.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -58.11 -62.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.045 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.1 116.53 12.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -144.29 -154.58 6.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.35 5.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.18 -55.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.0 m 63.67 151.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 p -172.04 160.98 5.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 0.776 . . . . 0.0 109.984 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -117.41 167.24 11.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.58 -149.8 8.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.16 171.2 16.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.65 130.9 53.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.21 -176.78 46.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.522 1.138 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.72 130.58 29.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 0.746 . . . . 0.0 110.264 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 137.11 21.24 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.536 1.808 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 46.39 -173.46 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.54 -92.24 1.28 Allowed Glycine 0 CA--C 1.531 1.048 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.409 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -120.65 27.34 8.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 109.357 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.77 87.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -117.06 -60.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 mt-10 -49.85 173.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.7 ' HB3' HD23 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 121.67 6.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.738 ' CD ' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -93.52 176.03 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.13 125.95 51.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.738 HD11 ' CD ' ' A' ' 17' ' ' ARG . 5.1 mt -131.52 125.05 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.5 mt -110.49 103.27 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.78 HD23 HD13 ' A' ' 93' ' ' ILE . 1.6 mm? -99.0 136.17 39.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' LYS . 39.7 m80 -99.83 101.7 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.585 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 18.2 mtmt -40.08 113.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.8 -71.61 1.15 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.72 68.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 p 50.78 49.14 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 174.75 159.93 21.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.774 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.1 mm? -83.78 -9.8 58.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.8 45.43 6.75 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 111.038 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 28' ' ' LEU . 2.3 p90 -169.34 146.08 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.51 172.81 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 pt -139.85 151.14 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.2 m -139.38 179.23 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' O ' HD13 ' A' ' 41' ' ' ILE . . . 56.52 165.95 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 77' ' ' HIS . . . 131.15 65.31 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.2 mt-10 -134.87 108.31 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 0.792 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 16.1 m-20 68.75 -65.89 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -168.54 28.23 0.15 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.9 -83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 42' ' ' PHE . . . 155.53 124.2 0.86 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 ' O ' ' CG ' ' A' ' 42' ' ' PHE . 10.4 mm -75.72 157.45 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 63' ' ' ARG . 98.3 m-85 -164.27 149.06 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD11 ' A' ' 58' ' ' LEU . 39.5 t -72.97 127.82 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -90.61 -17.14 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.995 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 47' ' ' LEU . 27.3 t80 178.24 163.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.496 HD11 ' HG ' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -130.98 110.13 17.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' HA ' ' CE2' ' A' ' 45' ' ' PHE . 5.8 tp -40.4 154.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -92.93 116.99 29.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 92.65 -8.01 77.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.85 179.64 10.33 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 21' ' ' LEU . 18.3 Cg_endo -74.94 -34.19 4.09 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 0.0 111.026 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.37 -28.67 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -88.05 -58.21 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 mt -46.83 -50.17 18.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 90.5 p -45.16 -45.64 11.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.01 -27.63 8.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' CB ' HG12 ' A' ' 19' ' ' ILE . 16.0 mt-10 -66.54 -56.48 10.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.613 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.2 tp -67.88 123.12 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' N ' HD12 ' A' ' 58' ' ' LEU . 6.6 mtt180 -139.96 142.33 36.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.462 ' HA ' ' CG1' ' A' ' 43' ' ' VAL . 21.3 ttp-105 -49.24 129.09 17.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 115.4 -26.24 9.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.407 ' OD1' ' C ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -66.17 126.55 29.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.629 ' O ' HD22 ' A' ' 65' ' ' LEU . 4.3 ttp85 -81.73 128.36 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' A' ' 95' ' ' ALA . 35.4 mm -73.08 87.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' PRO . 2.3 mm? -63.65 -55.54 22.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 21.0 p -144.51 151.78 39.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.813 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.5 t -128.01 141.27 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' VAL . 26.2 t-20 39.57 29.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 76.54 53.76 5.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -129.14 146.53 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -88.76 111.64 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.719 ' HG ' HG13 ' A' ' 70' ' ' VAL . 18.3 mt -123.68 3.61 8.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -38.66 -60.98 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -108.01 41.54 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.601 ' HB2' ' HA ' ' A' ' 72' ' ' LEU . . . -98.92 166.37 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 32.3 p -83.58 -164.48 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.376 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLY . 23.6 t-160 -82.04 -45.86 14.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.579 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.65 -38.34 86.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.02 -41.8 88.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -68.11 -30.09 69.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.24 -45.54 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.38 -17.48 12.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -83.44 -16.04 47.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' A' ' 84' ' ' LEU . 1.7 mm? -96.49 -16.7 20.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.82 -16.51 26.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 -15.13 25.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.26 -144.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.598 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -175.04 -144.96 5.17 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -58.55 -51.86 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 0.783 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.35 106.52 17.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.044 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' A' ' 87' ' ' ALA . 3.1 t -120.99 125.96 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -94.82 100.23 12.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.78 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -95.44 113.87 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 17' ' ' ARG . 39.8 t -103.11 101.21 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -122.89 161.61 23.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.525 ' O ' ' CG ' ' A' ' 96' ' ' GLN . 1.7 pt20 -118.54 113.17 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.83 97.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -137.69 85.81 19.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.5 Cg_endo -74.98 -33.74 4.38 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -50.0 -34.05 19.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -80.27 -60.82 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 106' ' ' GLU . 78.4 t80 -57.78 -17.02 13.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 99' ' ' PRO . 7.5 t -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.976 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 -55.35 -45.98 76.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 102' ' ' TYR . 24.8 m-85 -68.63 -30.53 69.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.539 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 2.0 mm-40 -58.02 -61.94 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.69 -54.81 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.9 m -52.42 -57.51 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -54.19 150.16 15.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 124.31 8.53 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.4 m -79.69 103.67 9.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 54.3 p -155.61 169.27 24.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -135.28 169.04 18.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.979 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -140.24 97.85 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.75 -151.43 16.65 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -179.01 151.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 110.0 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.44 172.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.76 123.37 7.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -95.59 147.27 32.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.574 0.808 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.35 -153.88 9.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.423 1.077 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.33 -166.61 11.87 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.538 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -119.49 26.46 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 73.34 82.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.79 -44.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.96 172.94 8.06 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.831 ' HB2' HG12 ' A' ' 94' ' ' VAL . 18.3 Cg_endo -74.99 113.38 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.59 ' CD ' HD11 ' A' ' 19' ' ' ILE . 1.5 ptp85 -83.08 175.11 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -101.91 128.29 48.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.59 HD11 ' CD ' ' A' ' 17' ' ' ARG . 6.0 mt -133.35 111.86 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' ILE . 3.2 mt -100.36 99.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.932 HD11 HD23 ' A' ' 58' ' ' LEU . 71.1 mt -95.4 139.2 32.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 23' ' ' LYS . 12.2 m170 -103.47 102.84 12.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.8 mtmt -39.19 110.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.86 -57.4 5.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.17 -57.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.749 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.9 p -72.64 -49.91 28.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.78 -145.7 5.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 2.3 mm? -86.91 -9.04 56.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 82.76 42.48 8.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 2.3 p90 -168.67 148.67 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.18 174.47 5.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 pt -142.1 152.45 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 44' ' ' SER . 1.0 OUTLIER -139.2 162.77 27.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.67 -148.24 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.76 38.55 11.65 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -132.82 120.42 21.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.317 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.2 t0 46.33 27.89 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 53.99 45.63 71.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.37 -32.9 66.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 110.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 133.17 160.5 9.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 8.7 mm -105.08 139.47 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 13.0 m-85 -138.92 159.07 43.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.588 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 26.7 t -79.53 136.61 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HB3' ' CG1' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -98.81 -37.53 9.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 76.2 t80 -157.54 167.55 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.047 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.475 ' N ' ' CG ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -134.59 118.56 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -53.84 138.55 35.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -82.45 115.72 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 100.33 -13.31 60.04 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -67.26 -177.32 9.55 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' C ' HD22 ' A' ' 21' ' ' LEU . 18.0 Cg_endo -75.04 -32.33 5.42 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HB2' HD13 ' A' ' 21' ' ' LEU . . . -69.06 -28.82 66.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 53' ' ' ASP . 27.4 t0 -89.25 -58.16 2.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 19.8 mt -47.91 -55.26 10.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.3 t -39.56 -50.11 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.003 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.66 -2.02 79.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -94.18 -46.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.932 HD23 HD11 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -83.31 124.19 30.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' NH2' ' HA3' ' A' ' 61' ' ' GLY . 0.1 OUTLIER -138.92 161.38 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 30.6 ttp180 -66.41 82.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' HA3' ' NH2' ' A' ' 59' ' ' ARG . . . 149.32 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.38 111.22 11.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' HB1' ' A' ' 95' ' ' ALA . 65.0 ttt180 -61.62 124.81 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.637 HD13 ' HB2' ' A' ' 95' ' ' ALA . 14.7 mm -80.01 99.62 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.599 HD21 ' HG2' ' A' ' 96' ' ' GLN . 3.9 mm? -74.89 -55.45 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.4 p -146.14 167.12 24.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.047 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.886 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -130.47 131.0 65.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 67' ' ' VAL . 4.1 t-20 39.12 29.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 86.03 47.91 4.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 67' ' ' VAL . 74.1 t -122.18 119.88 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -70.89 105.65 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 67' ' ' VAL . 96.0 mt -121.56 10.94 10.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.3 mtp180 -38.23 -31.23 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' LEU . 4.1 m120 -147.48 69.17 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 72' ' ' LEU . . . -122.57 173.91 7.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.4 p -90.05 166.87 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -55.69 -48.64 74.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.587 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -62.36 -53.04 60.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -49.75 -31.33 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 72' ' ' LEU . . . -76.66 -41.3 46.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.64 -43.29 76.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.79 -27.52 63.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.632 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -73.45 -30.54 63.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.45 HD11 ' HZ ' ' A' ' 30' ' ' PHE . 50.3 mt -85.36 -22.8 28.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -25.52 30.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.47 -8.62 52.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.686 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -65.9 -135.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.66 -144.8 5.04 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -70.6 -52.67 19.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.98 103.06 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.686 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 3.5 t -117.36 136.71 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.0 m -104.14 101.09 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.9 mp -91.61 118.58 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 16' ' ' PRO . 19.9 t -104.77 101.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.38 156.94 41.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.599 ' HG2' HD21 ' A' ' 65' ' ' LEU . 2.1 pt20 -123.75 131.63 53.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -50.73 156.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.42 92.04 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.88 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.481 1.779 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -45.8 -60.0 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -52.0 -70.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.588 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 20.0 t80 -41.82 -35.46 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.57 -23.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -32.02 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' TYR . 32.5 m-85 -90.58 -33.58 15.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.5 -61.23 2.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -62.95 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.3 160.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -96.96 -158.53 31.26 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.86 2.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 110.957 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.48 119.3 15.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.1 m -55.63 -57.8 10.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 p -162.67 153.0 16.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.447 0.734 . . . . 0.0 110.005 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m 61.29 152.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.7 -175.27 35.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -167.73 105.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.011 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 t -84.22 154.9 22.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.138 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.3 80.3 1.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -130.35 128.9 22.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.32 12.25 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 157.74 31.29 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.95 90.81 0.6 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.75 84.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 14' ' ' ARG . . . -119.95 -130.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 78.77 -47.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.07 170.91 4.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HB3' HD12 ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.06 129.54 12.38 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' CG ' HD11 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.38 131.37 56.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.85 108.43 9.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.558 HD11 ' CG ' ' A' ' 17' ' ' ARG . 4.5 mt -107.9 127.65 63.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.5 mt -112.04 108.74 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.901 HD11 HD23 ' A' ' 58' ' ' LEU . 22.2 mt -105.25 144.88 31.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 33.8 m170 -109.37 97.91 7.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.621 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' HIS . 8.0 mtmt -38.6 113.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.39 -71.9 0.84 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.515 1.134 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.438 ' C ' ' CG2' ' A' ' 26' ' ' THR . 0.6 OUTLIER -102.42 -69.35 0.79 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 0.771 . . . . 0.0 110.018 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.438 ' CG2' ' C ' ' A' ' 25' ' ' SER . 23.1 p -151.03 40.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -171.09 168.06 41.21 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.803 HD12 ' HB2' ' A' ' 21' ' ' LEU . 2.2 mm? -88.48 -9.83 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 80.22 45.95 7.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.687 ' CB ' HD13 ' A' ' 46' ' ' ILE . 1.8 p90 -172.94 147.86 1.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 0.731 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 1.3 t-20 -102.52 172.24 6.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' C ' ' CG1' ' A' ' 33' ' ' VAL . 1.3 pt -142.57 167.55 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER -149.55 173.42 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.56 -163.83 12.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.26 33.92 4.99 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 38' ' ' GLY . 3.2 mm-40 -127.61 120.64 28.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.244 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 45.0 27.7 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 36' ' ' GLU . . . 53.11 56.41 19.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.36 -32.85 32.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.14 152.03 6.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.54 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 20.6 mm -93.62 147.91 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 31.6 m-85 -147.95 150.33 33.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.853 HG23 ' OD1' ' A' ' 62' ' ' ASP . 11.4 t -71.04 130.81 34.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -94.1 -16.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.97 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 63.4 t80 177.2 166.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.687 HD13 ' CB ' ' A' ' 30' ' ' PHE . 2.6 mm -132.05 121.62 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 48' ' ' ALA . 2.9 tm? -56.75 138.79 52.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -80.35 118.99 22.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 95.84 -15.03 63.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.523 1.14 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -64.66 -179.0 6.6 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -31.37 6.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.553 1.818 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HA ' HD22 ' A' ' 21' ' ' LEU . . . -71.99 -17.83 62.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -98.37 -58.66 1.92 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 24.8 mt -49.05 -50.85 34.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.2 p -41.5 -47.06 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.026 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.79 -17.02 58.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.97 -66.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.901 HD23 HD11 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -62.18 124.7 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 -143.14 143.61 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.486 ' HA ' HG12 ' A' ' 43' ' ' VAL . 5.8 ttm180 -50.07 131.59 23.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 100.8 25.43 8.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.853 ' OD1' HG23 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -93.76 163.62 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 62.1 ttt180 -114.33 87.08 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.892 HD13 ' HB2' ' A' ' 95' ' ' ALA . 17.8 mm -51.76 132.68 13.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.73 HD11 ' NE2' ' A' ' 96' ' ' GLN . 33.1 mt -113.53 -48.48 2.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 13.5 p -155.21 166.14 34.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.955 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -129.8 133.78 64.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.318 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.5 t-20 38.8 30.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' VAL . . . 85.39 45.64 5.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' VAL . 88.1 t -118.15 112.99 40.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -67.82 107.52 2.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HG12 ' A' ' 67' ' ' VAL . 8.0 mt -131.1 20.36 4.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -42.58 -31.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -145.9 72.97 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -123.48 179.31 4.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 44.1 p -92.8 157.93 16.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' CE1' ' HA ' ' A' ' 33' ' ' VAL . 4.7 t-160 -48.79 -49.35 39.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.9 -54.71 43.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.35 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.02 -44.04 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -44.76 -31.38 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.722 ' CB ' HG11 ' A' ' 67' ' ' VAL . . . -66.79 -58.67 4.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 84' ' ' LEU . 2.3 mm? -56.51 -18.01 10.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.93 -39.1 20.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 -82.67 -8.39 59.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.679 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -64.5 -136.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.439 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -178.57 -143.41 5.21 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 6.1 tt0 -71.64 -52.72 16.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 0.791 . . . . 0.0 110.286 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 97.71 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.679 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 4.7 t -112.06 132.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ASN . 54.7 m -101.12 99.6 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 21' ' ' LEU . 5.4 mp -91.82 121.62 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -106.96 100.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.892 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -133.27 152.03 51.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.73 ' NE2' HD11 ' A' ' 65' ' ' LEU . 4.4 pt20 -116.5 124.95 51.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.57 150.67 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.84 86.5 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -30.88 6.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -52.17 -54.57 29.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 4.0 mm-40 -64.65 -61.42 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CG ' ' HA2' ' A' ' 61' ' ' GLY . 42.3 t80 -43.23 -33.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -50.84 -30.08 13.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.969 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.49 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -61.19 -27.6 68.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.127 . . . . 0.0 110.35 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -89.97 -45.55 9.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -41.4 -60.14 1.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.04 -55.47 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.25 -59.69 1.99 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 56.04 162.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.57 8.73 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.9 t -70.46 102.09 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.2 m -130.81 -58.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.026 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.26 137.77 3.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 110.049 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -117.22 127.53 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.047 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.92 -86.21 0.24 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.29 134.55 4.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.25 117.31 34.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.63 93.24 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 62.85 129.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.777 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 71.59 4.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 58.26 -146.86 39.58 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.426 1.079 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ASP . . . 178.45 -127.82 1.2 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 39.15 79.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.43 70.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' GLU . 7.3 mmt85 -117.64 -59.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -46.59 174.62 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.581 ' HD2' ' HB2' ' A' ' 15' ' ' GLU . 18.2 Cg_endo -75.03 133.28 16.36 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.487 1.783 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -110.09 141.51 42.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.339 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.607 ' HG3' HG22 ' A' ' 94' ' ' VAL . 8.0 ttpt -73.75 108.2 6.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.702 HG22 ' HG ' ' A' ' 21' ' ' LEU . 3.3 mt -104.47 90.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.538 HG13 HG23 ' A' ' 92' ' ' THR . 3.3 mt -81.29 98.38 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.745 HD11 HD12 ' A' ' 58' ' ' LEU . 63.9 mt -98.92 142.97 29.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 23' ' ' LYS . 49.0 m80 -109.32 100.57 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.567 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' HIS . 10.0 mtmt -38.17 114.76 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.98 -72.03 0.7 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.01 -56.43 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -158.1 25.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -151.28 161.36 29.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.764 ' CD1' HD12 ' A' ' 84' ' ' LEU . 77.4 mt -93.29 -9.35 39.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.618 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . 79.04 42.9 11.46 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.679 ' CD2' HD13 ' A' ' 58' ' ' LEU . 1.2 p90 -177.54 146.14 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.753 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -104.72 176.99 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 pt -141.48 159.0 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 2.5 m -139.92 177.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.68 -171.83 25.44 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.53 1.144 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.5 6.89 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -118.12 117.7 29.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 55.75 39.54 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 43.32 55.86 4.95 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -86.97 -31.48 20.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 0.77 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.82 -168.85 22.22 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 33' ' ' VAL . 3.6 mm -131.13 149.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 63' ' ' ARG . 62.2 m-85 -151.08 148.75 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.705 HG21 ' CD2' ' A' ' 58' ' ' LEU . 47.7 t -64.17 139.16 21.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.3 OUTLIER -103.1 -38.8 7.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 57.7 t80 -158.23 165.34 35.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.486 HD11 HD22 ' A' ' 58' ' ' LEU . 1.2 mm -135.65 121.57 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.0 tp -63.79 151.31 42.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -95.99 108.98 21.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.76 -10.22 32.34 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -71.19 -175.26 21.0 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.469 ' O ' HD22 ' A' ' 21' ' ' LEU . 18.4 Cg_endo -74.99 -31.97 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 29' ' ' GLY . . . -67.06 -33.69 76.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -87.44 -57.81 2.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 13.8 mt -46.23 -58.58 3.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.2 t -46.16 -43.54 15.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 77.9 24.98 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' CB ' HG12 ' A' ' 19' ' ' ILE . 4.6 mm-40 -106.21 -48.85 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.745 HD12 HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.5 138.38 35.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.89 150.13 42.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -65.07 113.22 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.22 5.31 9.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.28 127.68 37.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 20.3 ttt180 -79.58 118.95 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.969 HD13 ' HB2' ' A' ' 95' ' ' ALA . 8.3 mm -73.46 106.76 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 16' ' ' PRO . 4.5 mm? -76.71 -55.42 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 12.8 p -146.65 157.44 43.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.801 ' H ' HG12 ' A' ' 70' ' ' VAL . 2.1 t -128.04 138.22 55.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.5 t-20 39.64 29.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.465 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 77.78 55.84 4.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG12 ' H ' ' A' ' 67' ' ' VAL . 2.7 p -132.17 144.46 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.766 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -88.69 109.96 20.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.751 ' HG ' HG13 ' A' ' 70' ' ' VAL . 10.8 mt -123.62 -0.21 8.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 72' ' ' LEU . 13.5 mtp180 -37.12 -37.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -136.41 49.33 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 72' ' ' LEU . . . -110.58 162.25 14.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 45.6 p -80.95 164.85 22.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -54.08 -39.16 66.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.614 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -64.75 -56.0 16.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -54.1 -39.59 66.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' HA ' HD22 ' A' ' 72' ' ' LEU . . . -68.67 -28.68 67.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -80.48 -45.69 17.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.98 -24.51 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' CB ' HG11 ' A' ' 70' ' ' VAL . . . -74.69 -22.19 58.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.764 HD12 ' CD1' ' A' ' 28' ' ' LEU . 1.7 mm? -95.82 -23.84 16.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 -25.27 24.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 -8.0 49.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.606 ' HB1' HG22 ' A' ' 91' ' ' VAL . . . -72.69 -143.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.601 ' H ' HG22 ' A' ' 91' ' ' VAL . . . -165.17 -154.16 7.88 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 2.5 mt-30 -59.04 -51.92 67.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 0.729 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.16 99.17 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.606 HG22 ' HB1' ' A' ' 87' ' ' ALA . 6.6 t -108.66 137.86 38.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.538 HG23 HG13 ' A' ' 20' ' ' ILE . 52.6 m -104.64 100.57 10.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 64' ' ' ILE . 5.1 mp -98.88 109.81 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.607 HG22 ' HG3' ' A' ' 18' ' ' LYS . 41.6 t -97.13 100.93 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.969 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -127.2 152.25 47.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.487 ' CA ' ' HA ' ' A' ' 16' ' ' PRO . 2.1 pt20 -111.26 130.84 55.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.66 97.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.87 82.6 49.17 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -19.46 17.85 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -62.96 -44.82 95.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.501 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 1.6 mm-40 -71.85 -58.55 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 74.8 t80 -42.78 -33.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.7 t -50.75 -27.59 7.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -64.36 -29.01 70.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 29.7 m-85 -86.3 -39.98 15.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -44.99 -53.47 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.94 -59.53 4.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.8 121.26 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.76 -140.33 11.7 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 95.24 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -83.0 137.98 33.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' SER . 19.0 p 39.35 84.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -123.84 171.85 9.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.66 170.16 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.23 -140.75 13.74 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t 75.4 -57.44 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -46.37 135.63 7.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.97 -165.12 18.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER 66.05 140.23 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 110.3 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' ARG . 18.2 Cg_endo -75.04 -172.82 1.37 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -172.54 157.43 26.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.23 -118.58 0.9 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER 40.62 83.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 0.78 . . . . 0.0 109.343 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.57 69.49 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -117.1 -40.43 3.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 1.7 mt-10 -67.09 173.78 2.41 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' CA ' ' HB3' ' A' ' 96' ' ' GLN . 18.2 Cg_endo -75.04 126.94 10.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -100.78 155.32 17.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 0.0 OUTLIER -87.0 103.81 15.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.603 HG22 ' CD2' ' A' ' 21' ' ' LEU . 6.0 mt -105.05 115.0 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.813 HG13 HG23 ' A' ' 92' ' ' THR . 5.0 mt -102.15 102.22 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.986 HD21 HD12 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -94.94 136.55 35.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -101.9 103.5 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.649 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CD1' ' A' ' 28' ' ' LEU . 3.9 mttm -44.79 113.74 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 -40.82 10.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.75 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.737 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -74.85 -46.24 37.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.34 -137.29 4.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' CB ' ' CE2' ' A' ' 30' ' ' PHE . 1.4 mm? -92.46 -11.98 33.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.22 35.43 23.74 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 30' ' ' PHE . 1.5 p90 -161.89 143.56 11.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -95.37 175.6 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 pt -144.09 153.27 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.499 HG23 ' CE2' ' A' ' 105' ' ' PHE . 1.7 m -144.08 160.65 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.97 -167.05 12.49 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.17 42.6 2.03 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.01 123.58 17.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.81 19.13 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.24 49.27 77.42 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -81.82 -19.17 41.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.21 18.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.963 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.566 ' C ' ' CD1' ' A' ' 42' ' ' PHE . 4.7 mm -108.8 161.7 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' A' ' 41' ' ' ILE . 71.5 m-85 -157.33 146.57 20.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.765 HG21 HD21 ' A' ' 58' ' ' LEU . 53.3 t -68.51 134.63 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.463 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -96.31 -32.41 12.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.024 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 49.1 t80 -165.66 167.32 17.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.992 HD11 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -135.3 121.23 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 48' ' ' ALA . 2.5 tp -61.24 151.26 32.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 47' ' ' LEU . . . -94.88 110.51 22.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.493 ' O ' ' CD1' ' A' ' 54' ' ' LEU . . . 110.16 -13.89 31.15 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.425 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -69.27 -174.54 11.02 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.4 Cg_endo -74.99 -34.3 3.93 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 57' ' ' GLU . . . -70.79 -7.9 48.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -113.0 -52.18 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 82.6 mt -60.04 -52.56 64.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 87.6 p -38.33 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' LEU . . . 91.62 4.19 68.06 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 58' ' ' LEU . 2.4 mm-40 -121.86 -172.55 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.992 HD22 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER 61.13 135.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' GLY . 13.9 mtt180 -146.69 146.55 30.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 106' ' ' GLU . 48.8 ttt180 -58.15 86.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 59' ' ' ARG . . . 139.75 43.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.419 ' HB3' ' HB1' ' A' ' 95' ' ' ALA . 0.1 OUTLIER -123.41 126.59 47.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' PHE . 12.8 ttt180 -75.01 113.15 11.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.98 HD13 ' HB2' ' A' ' 95' ' ' ALA . 30.8 mm -68.17 112.24 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.519 HD22 ' O ' ' A' ' 63' ' ' ARG . 4.2 mm? -80.65 -50.96 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 70' ' ' VAL . 26.9 p -155.69 169.25 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.917 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -128.85 123.75 59.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 48.89 22.27 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 67' ' ' VAL . . . 92.93 42.97 4.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 67' ' ' VAL . 57.8 t -117.34 115.35 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -67.3 107.04 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD12 HG12 ' A' ' 67' ' ' VAL . 75.8 mt -120.45 5.14 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' LEU . 25.7 mtp180 -37.96 -30.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' LEU . 7.6 m120 -140.13 67.36 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.67 156.68 43.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.0 p -77.62 172.47 13.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.446 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -56.55 -56.21 24.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' ALA . 3.5 tt0 -50.15 -58.6 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -47.3 -39.99 15.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.444 ' O ' ' CD2' ' A' ' 84' ' ' LEU . . . -67.55 -35.61 79.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 84' ' ' LEU . . . -75.71 -53.06 9.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.89 -22.78 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.31 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.869 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -74.64 -32.57 62.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 81' ' ' ALA . 1.9 mm? -83.34 -15.99 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -25.29 20.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.74 -9.16 54.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.689 ' HB1' ' CG2' ' A' ' 91' ' ' VAL . . . -72.43 -140.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -170.21 -131.55 1.34 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -83.03 -52.68 6.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.293 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 95.1 7.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.94 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.689 ' CG2' ' HB1' ' A' ' 87' ' ' ALA . 5.3 t -113.15 135.74 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.813 HG23 HG13 ' A' ' 20' ' ' ILE . 26.1 m -103.39 99.79 9.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.402 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.723 HD13 HD23 ' A' ' 21' ' ' LEU . 4.9 mp -93.65 108.73 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 16' ' ' PRO . 14.8 t -93.87 101.4 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.98 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -128.17 147.9 50.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.473 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 1.4 pt20 -111.79 127.43 55.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.28 94.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.79 84.41 63.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.336 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -28.09 9.4 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -56.64 -35.32 68.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -84.83 -49.07 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.543 ' CD2' ' HG2' ' A' ' 106' ' ' GLU . 60.8 t80 -56.26 -16.88 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.6 t -44.24 -50.8 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -45.87 -54.3 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CE2' HG23 ' A' ' 33' ' ' VAL . 34.3 m-85 -65.2 -42.03 93.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.543 ' HG2' ' CD2' ' A' ' 102' ' ' TYR . 3.6 mm-40 -42.07 -55.32 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.07 -59.57 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.0 m -66.48 115.55 6.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -118.36 157.89 15.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 172.46 16.33 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.93 83.39 1.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.064 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -112.12 172.47 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -166.59 107.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.05 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -124.6 169.3 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.984 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.86 151.37 19.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.74 158.98 39.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -175.14 148.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.8 179.59 46.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.15 136.09 20.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -172.35 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 169.44 141.63 3.3 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.94 156.23 6.76 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 7.4 m-20 -102.86 22.94 12.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 12' ' ' ASP . . . 68.1 71.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' NE ' ' HB2' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -138.71 -48.08 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CB ' ' CD ' ' A' ' 16' ' ' PRO . 2.4 mt-10 -78.52 173.88 6.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' HB3' ' CD1' ' A' ' 65' ' ' LEU . 18.2 Cg_endo -75.07 156.83 42.72 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.54 1.81 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.59 ' O ' HG13 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -143.0 -179.3 6.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HE2' HG21 ' A' ' 92' ' ' THR . 10.2 ttmt -107.31 118.89 37.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.647 HG22 ' CD2' ' A' ' 21' ' ' LEU . 8.2 mt -121.72 108.23 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.91 HG13 HG23 ' A' ' 92' ' ' THR . 1.7 mt -90.86 101.6 12.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.841 HD21 HD12 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -95.64 135.94 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' LYS . 27.2 m-70 -109.54 93.39 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.611 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' HIS . 2.3 mtmt -37.14 109.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.59 -70.91 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.469 1.105 . . . . 0.0 111.037 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.47 75.07 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 66.6 p 46.3 29.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' LYS . . . -155.95 151.68 23.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 27.4 mt -84.01 -9.21 58.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.28 30.49 30.63 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' HD2' ' HB2' ' A' ' 52' ' ' ALA . 1.7 p90 -167.63 143.7 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 1.1 t-20 -95.81 176.25 6.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 HD12 ' HD2' ' A' ' 77' ' ' HIS . 1.6 pt -136.9 154.25 31.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.557 ' CG1' ' CB ' ' A' ' 44' ' ' SER . 4.8 m -141.36 177.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.44 -165.98 13.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.97 27.37 5.97 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.819 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -122.79 119.03 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 41.11 32.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 74' ' ' ASN . . . 55.98 51.71 53.7 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -10.07 59.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.23 151.05 21.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.8 mm -93.84 135.85 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.557 ' CZ ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 m-85 -133.46 166.97 21.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.59 ' O ' ' CE1' ' A' ' 102' ' ' TYR . 39.8 t -85.12 127.37 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.557 ' CB ' ' CG1' ' A' ' 33' ' ' VAL . 0.1 OUTLIER -84.73 -34.33 22.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CG ' ' N ' ' A' ' 46' ' ' ILE . 64.3 t80 -163.54 166.6 22.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.639 HD11 HD22 ' A' ' 58' ' ' LEU . 1.3 mm -133.9 126.34 50.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 48' ' ' ALA . 3.1 tm? -69.47 139.41 53.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.611 ' H ' HD22 ' A' ' 47' ' ' LEU . . . -87.35 106.56 18.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 115.92 -12.54 17.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -75.75 -173.09 33.84 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' SER . 18.3 Cg_endo -74.95 -34.79 3.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.68 ' HB2' ' HD2' ' A' ' 30' ' ' PHE . . . -68.33 -16.46 63.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.92 -53.95 2.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 50' ' ' GLY . 39.5 mt -54.14 -53.78 48.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' PRO . 93.7 p -38.02 -33.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 54' ' ' LEU . . . 71.14 30.76 67.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 19' ' ' ILE . 1.8 mm-40 -127.6 -64.32 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.841 HD12 HD21 ' A' ' 21' ' ' LEU . 0.5 OUTLIER -56.11 146.78 21.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.554 ' HD2' ' CE2' ' A' ' 97' ' ' TYR . 10.2 mtt85 -145.77 152.19 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 16.2 ttp-105 -71.79 95.83 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.506 ' HA2' ' CG ' ' A' ' 102' ' ' TYR . . . 147.22 -23.24 1.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.09 160.31 2.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' HG3' ' CZ ' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -112.64 112.07 23.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 95' ' ' ALA . 20.9 mm -61.51 134.41 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PRO . 40.3 mt -112.1 -54.69 2.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -135.6 159.58 41.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.01 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.902 HG11 ' HB1' ' A' ' 83' ' ' ALA . 0.9 OUTLIER -119.86 102.84 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 72.34 -39.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.249 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 67' ' ' VAL . . . 179.64 -27.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.502 HG22 ' H ' ' A' ' 67' ' ' VAL . 4.4 m -53.08 -170.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.562 ' O ' HD23 ' A' ' 72' ' ' LEU . 8.7 t30 -130.72 116.59 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.599 HD11 ' HB ' ' A' ' 67' ' ' VAL . 10.0 mt -128.9 40.33 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.0 mtt180 -68.19 -33.16 73.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 38' ' ' GLY . 4.5 m-20 -146.06 25.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.72 161.65 30.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -80.8 153.35 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.457 ' HD2' HD12 ' A' ' 32' ' ' ILE . 12.3 t-160 -43.26 -47.35 6.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.6 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -62.43 -56.56 17.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -49.02 -47.6 44.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.587 ' O ' HD22 ' A' ' 84' ' ' LEU . . . -62.12 -35.24 78.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.66 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.45 -19.47 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.902 ' HB1' HG11 ' A' ' 67' ' ' VAL . . . -81.94 -29.38 32.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.587 HD22 ' O ' ' A' ' 80' ' ' ALA . 1.6 mm? -82.76 -18.96 38.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -28.54 36.62 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' NH2' HG12 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -93.85 -7.58 42.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.031 ' HB1' HG21 ' A' ' 91' ' ' VAL . . . -80.11 117.61 21.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -61.24 -133.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 22' ' ' HIS . 5.7 mt-30 -89.83 -52.74 4.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.21 96.47 10.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 1.031 HG21 ' HB1' ' A' ' 87' ' ' ALA . 17.6 t -114.33 136.25 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.91 HG23 HG13 ' A' ' 20' ' ' ILE . 3.1 m -94.19 100.67 12.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.66 HD13 HD23 ' A' ' 21' ' ' LEU . 3.8 mp -91.94 113.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 17' ' ' ARG . 84.8 t -99.65 101.23 11.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.581 ' HB2' HD13 ' A' ' 64' ' ' ILE . . . -121.62 164.44 17.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CA ' ' A' ' 16' ' ' PRO . 2.6 pt20 -127.32 120.95 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CE2' ' HD2' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -53.66 90.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -128.45 82.65 68.15 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 103' ' ' SER . 18.2 Cg_endo -74.98 -38.2 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.799 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -49.68 -22.62 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -93.62 -43.72 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 43' ' ' VAL . 71.8 t80 -70.74 -20.94 62.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -40.31 -51.92 2.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.64 -54.01 6.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -64.84 -41.57 95.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.558 ' HG2' ' CE2' ' A' ' 102' ' ' TYR . 3.2 mm-40 -43.48 -51.38 6.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.1 t -51.38 -56.62 12.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.97 99.33 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -122.37 176.33 16.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 101.11 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -82.26 107.72 15.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 p -158.89 169.42 24.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.032 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.975 . . . . . . . . 0 0 . 1 stop_ save_