data_1ny4_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 1ny4 _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 ' 7' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 7' ' ' TYR . 40.4 p90 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.524 0.202 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.51 37.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.3 133.18 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HG3' ' CG1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -102.88 134.79 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.405 ' CG2' HG13 ' A' ' 29' ' ' VAL . 98.2 t -59.51 127.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.34 -37.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -162.86 143.01 9.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mt -93.18 138.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mt -83.91 -62.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.71 -140.5 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -136.15 113.5 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -91.66 133.11 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.91 152.42 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -101.43 131.31 47.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG13 ' CG2' ' A' ' 11' ' ' VAL . 28.4 m -131.51 152.93 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -116.17 148.23 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -70.92 130.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.6 mt -85.5 -30.19 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -168.89 167.51 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 117.06 66.8 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.5 -75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 29.5 m-20 -50.6 -58.36 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.8 tttt 39.01 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.08 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -117.18 114.82 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.68 129.96 42.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -135.0 175.85 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.32 103.63 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -99.35 140.66 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CB ' ' HG2' ' A' ' 26' ' ' GLN . 12.2 p-10 -108.54 127.3 53.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 46' ' ' ARG . 71.4 t -146.84 166.02 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 1.5 mmm-85 -90.18 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.54 166.14 24.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -171.05 171.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -147.89 129.24 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -40.3 122.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.36 -31.47 4.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.67 150.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.436 ' CG1' ' HG3' ' A' ' 10' ' ' GLU . 59.0 mt -136.05 139.79 45.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.32 138.14 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.494 0.188 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.19 30.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.2 124.21 46.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.87 125.86 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.68 120.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 ' CD1' HG22 ' A' ' 40' ' ' VAL . 7.1 pt -91.65 -35.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 12' ' ' ILE . 30.2 tt0 -162.96 142.96 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.422 HG23 ' CG1' ' A' ' 27' ' ' VAL . 19.9 mt -88.72 128.45 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -80.41 -77.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.89 144.98 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.282 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -144.16 105.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.497 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 17.4 mt-30 -88.52 142.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.222 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 26' ' ' GLN . 27.2 m -157.5 156.34 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -95.29 128.52 42.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 m -121.7 151.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 31' ' ' ILE . 1.9 ttt180 -115.27 148.38 39.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 12.6 mt -73.26 124.75 30.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 10' ' ' GLU . 4.4 mm? -73.23 -38.43 66.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.21 167.19 16.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.205 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.17 64.85 0.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 -76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.91 -55.84 20.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt 41.31 89.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.22 -13.09 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.1 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 2.1 tpt180 -58.2 120.2 8.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 12' ' ' ILE . 8.1 p -94.39 143.96 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -148.49 175.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -118.98 103.24 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 143.37 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -113.75 114.15 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.28 148.75 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -86.1 134.48 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.13 -157.8 14.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -174.23 151.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 109.364 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 3.6 ttt180 -157.78 142.6 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 54.9 t -54.04 125.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 -25.64 8.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -47.42 135.02 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -109.6 139.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.37 115.86 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.93 29.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.35 135.6 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.46 124.97 53.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 27' ' ' VAL . 81.3 t -51.16 133.84 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.464 HD12 ' CG2' ' A' ' 40' ' ' VAL . 1.1 pt -114.39 -35.53 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -162.83 143.32 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mt -97.16 140.09 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.0 mt -94.61 -81.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -179.31 -169.46 39.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 30.1 mtm-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 60.4 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 18.9 m -141.93 97.22 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -78.14 139.55 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' HG13 ' A' ' 11' ' ' VAL . 6.3 p -153.15 149.63 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' HG3' ' A' ' 42' ' ' ARG . 14.0 mtmm -94.57 132.39 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.37 140.69 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -106.84 147.01 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -75.15 100.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -39.99 64.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.11 171.61 6.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . 119.14 40.84 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 84.33 -47.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 110.367 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 71.9 m-20 -92.54 30.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.25 88.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . 143.38 -32.04 1.89 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' HB3' ' A' ' 36' ' ' ASP . 27.3 ttm180 -49.87 119.95 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' HD12 ' A' ' 12' ' ' ILE . 8.5 p -106.06 148.38 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 pt -146.97 173.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -109.05 100.67 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.87 127.46 44.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -100.44 126.8 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 46' ' ' ARG . 16.8 t -135.69 154.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' HG11 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.27 130.16 35.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.581 1.176 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 107.72 -178.08 21.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' C ' ' HG3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -169.29 173.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 49' ' ' VAL . 62.0 mtt180 -155.09 136.1 13.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.1 p -48.76 132.53 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.71 -22.61 23.62 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 1.0 OUTLIER -45.73 128.37 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 0.0 109.339 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -111.76 112.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.56 137.14 48.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.228 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.49 0.186 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.18 16.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.54 125.98 41.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.39 140.85 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.89 126.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 pp -106.6 -32.5 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -162.59 143.04 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -98.32 124.42 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 HD13 ' CD ' ' A' ' 42' ' ' ARG . 5.7 mt -77.9 -65.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.32 -137.85 5.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.779 . . . . 0.0 110.293 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -136.25 109.48 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 136.48 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.3 155.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -96.08 135.96 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.27 135.04 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NE ' ' HA2' ' A' ' 38' ' ' GLY . 3.8 ttt180 -98.81 149.75 22.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.05 111.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' A' ' 54' ' ' ILE . 2.4 mt -64.39 -43.47 94.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.43 167.88 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.8 -126.33 3.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -40.52 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -91.9 -39.59 11.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 37.53 88.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' ' NE ' ' A' ' 30' ' ' ARG . . . 116.19 37.09 1.05 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -117.27 117.81 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 110.331 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.44 136.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 pt -140.13 177.48 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' CD ' HD13 ' A' ' 15' ' ' ILE . 38.8 ttp180 -128.44 103.91 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.82 138.86 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -112.92 120.27 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -144.99 151.58 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -83.76 126.99 33.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.58 160.66 10.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.34 7.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -167.67 179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.43 144.08 19.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 p -47.27 129.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.06 -25.75 9.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 147.19 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 32' ' ' LEU . 81.0 mt -130.85 138.58 53.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mp -136.81 137.34 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.459 0.171 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.19 38.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.7 148.32 51.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 37.6 tt0 -113.53 133.03 55.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.45 125.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.2 -32.65 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -162.76 142.95 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.2 mt -93.69 138.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -80.64 -65.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 126.59 0.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 74.0 m -147.33 96.86 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.66 139.97 35.91 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 110.27 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -150.28 157.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -97.99 131.04 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.28 134.14 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -99.87 145.77 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.08 120.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.6 -36.52 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -158.65 168.83 25.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.24 60.98 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -73.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.257 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -57.18 -49.64 75.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 2.7 ptmt 33.3 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.45 41.83 0.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -117.95 111.62 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -83.13 128.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 pt -134.68 170.84 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.87 99.37 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.17 140.04 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -101.07 118.19 36.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 46' ' ' ARG . 15.6 t -127.47 149.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.401 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.9 mtp180 -91.44 129.83 37.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 105.63 176.7 24.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.82 31.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 1.3 t -120.52 161.54 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 48.7 mtt-85 -145.5 129.4 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -41.27 128.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.53 -16.43 26.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.86 128.21 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 10' ' ' GLU . 17.8 mm -115.08 130.44 69.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.36 124.67 26.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.521 0.201 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.19 28.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.2 133.35 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.45 131.14 55.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 53' ' ' ASP . 59.3 t -51.89 130.82 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.3 pt -111.34 -31.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -162.48 143.47 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.17 130.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 51.4 mt -84.3 -81.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.23 140.73 3.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 3.1 m -117.29 105.72 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -91.39 143.03 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.41 169.31 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' CD1' ' A' ' 15' ' ' ILE . 2.7 mtmt -102.03 134.17 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.0 m -127.82 144.59 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -110.59 149.28 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.85 124.73 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.1 -28.72 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.8 tt0 -169.15 168.67 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.6 -107.02 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -32.61 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -106.91 -31.59 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 32.91 88.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 36' ' ' ASP . 1.8 ttt85 -61.93 128.59 36.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.763 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.62 135.03 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.0 pt -138.25 176.51 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.32 115.03 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -125.0 171.64 10.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -99.93 142.01 31.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -141.75 160.54 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 142.3 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 96.67 179.76 34.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 2.19 6.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 48' ' ' PRO . 40.3 t 60.18 149.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -143.66 128.53 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.84 146.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.66 42.73 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 17.8 t70 -49.39 133.9 19.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.6 mt -111.49 141.77 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.9 122.16 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 7.4 t80 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.51 0.195 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.06 159.51 41.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.92 131.36 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -110.22 138.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.48 127.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 pt -97.57 -39.42 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.67 143.32 9.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.469 HD12 ' CG1' ' A' ' 49' ' ' VAL . 11.1 mm -78.92 143.98 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -98.31 -74.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.94 165.23 25.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.433 0.725 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -144.9 116.19 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.57 145.94 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -159.84 141.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -85.95 138.45 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.28 160.99 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -125.19 148.16 48.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -71.55 125.44 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -71.12 -39.54 71.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -169.87 168.59 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.44 -136.15 7.7 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.52 16.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' LYS . 16.8 m-20 -86.42 -43.45 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' ASP . 18.8 ttpt 36.64 88.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.67 34.67 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 130.47 56.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.61 137.55 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.369 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 pt -144.92 176.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -114.46 100.74 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.18 134.63 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -108.84 117.6 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 46' ' ' ARG . 92.0 t -114.45 167.72 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -92.64 129.41 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -178.94 37.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 142.72 27.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -113.95 175.39 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -157.53 142.45 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t -49.93 144.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.08 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.67 -27.97 11.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.09 123.67 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.03 141.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -155.35 152.06 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.492 0.187 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.11 41.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.17 148.81 35.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -116.9 143.05 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.455 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 83.5 t -68.18 125.04 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.458 ' CG2' ' HG2' ' A' ' 30' ' ' ARG . 44.9 pt -100.0 -40.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.62 143.28 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.353 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.7 mt -97.17 136.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mt -79.82 -66.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.199 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.22 137.27 2.26 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -125.82 102.11 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -87.37 120.78 29.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' CG2' ' A' ' 14' ' ' ILE . 16.2 m -131.69 152.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.73 133.47 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 11' ' ' VAL . 30.7 m -133.2 150.14 32.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HG2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 ptt180 -111.5 150.46 29.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.08 124.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.64 84.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 168.77 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.23 -108.64 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -31.88 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' LYS . 68.5 m-20 -103.21 -31.72 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ASP . 63.8 tttt 39.14 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.49 -10.41 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -50.59 110.94 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 m -82.45 139.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.5 pt -145.36 173.63 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.36 101.45 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.59 140.31 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -106.28 113.36 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -119.83 179.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -105.25 136.8 44.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.37 169.42 45.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.47 14.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 ' CG1' HG12 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -148.22 -166.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -158.01 141.4 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 47.8 t -50.35 117.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 -34.8 2.58 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.72 150.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -134.72 146.32 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.95 144.72 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.465 0.174 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 146.62 32.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -132.41 124.1 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 17.3 tt0 -99.84 126.92 46.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.67 131.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -113.09 -35.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -162.65 143.29 9.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -91.85 148.38 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.48 -70.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.5 -163.92 36.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.272 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -122.93 107.08 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.87 132.85 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.2 149.07 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -102.62 128.04 49.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG23 ' CB ' ' A' ' 9' ' ' ALA . 20.0 m -127.14 145.36 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -105.55 147.49 28.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.97 128.28 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 10' ' ' GLU . 4.3 mm? -79.91 -34.3 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -164.85 175.03 9.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 111.38 67.66 0.54 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 -76.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -50.48 -57.65 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER 39.72 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.272 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.69 39.35 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.76 118.17 32.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -90.68 115.89 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.143 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 pt -116.54 164.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -119.51 103.09 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -99.2 146.91 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -115.79 104.17 11.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 46' ' ' ARG . 78.6 t -122.59 164.54 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 4.0 mmt85 -92.53 135.61 33.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.65 156.48 25.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -172.98 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -167.65 -166.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -156.05 136.34 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -41.38 143.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.06 -23.72 34.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.599 1.187 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -48.28 140.73 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.85 126.16 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.8 122.83 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.78 10.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.3 141.39 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' CG ' HD13 ' A' ' 54' ' ' ILE . 1.3 tm-20 -116.28 127.64 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.415 ' CG2' HG13 ' A' ' 29' ' ' VAL . 53.2 t -61.4 130.77 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.12 -34.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -162.85 144.01 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.231 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -95.39 118.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.39 -178.48 37.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 m -130.3 108.69 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -86.69 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.96 153.94 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -93.72 131.7 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 11' ' ' VAL . 5.5 m -130.58 138.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -101.29 148.21 25.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.46 -34.17 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 2.3 tt0 -168.87 177.69 4.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.81 -105.11 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -33.93 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -102.99 -31.34 10.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 9.4 ptmt 32.95 88.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.96 41.1 0.27 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -117.26 118.3 31.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -87.57 121.48 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -127.04 -179.99 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 103.88 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.56 143.23 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -106.59 115.46 30.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.08 147.48 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 145.54 32.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.9 171.02 34.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.3 37.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 2.3 t -126.82 165.02 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.4 ttm180 -155.86 140.57 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 62.5 t -44.97 134.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.74 -30.47 9.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.18 131.29 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.417 HD13 ' CG ' ' A' ' 10' ' ' GLU . 35.4 mm -115.0 129.09 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.03 -179.62 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 41.7 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.514 0.197 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 1' ' ' MET . . . 80.69 -56.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -36.65 116.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.24 20.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 10.13 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.97 125.13 1.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CD1' ' O ' ' A' ' 7' ' ' TYR . 40.4 p90 -101.44 116.85 63.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.51 37.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.3 133.18 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HG3' ' CG1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -102.88 134.79 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' CG2' HG13 ' A' ' 29' ' ' VAL . 98.2 t -59.51 127.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.34 -37.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -162.86 143.01 9.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.1 mt -93.18 138.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mt -83.91 -62.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.71 -140.5 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 171.75 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 m -135.26 -46.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' THR . . . 54.96 -145.75 29.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m 63.73 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.3 m -60.37 -38.64 84.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.87 76.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 43.94 51.97 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.15 157.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -136.15 113.5 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -91.66 133.11 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.7 m -137.91 152.42 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -101.43 131.31 47.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG13 ' CG2' ' A' ' 11' ' ' VAL . 28.4 m -131.51 152.93 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -116.17 148.23 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -70.92 130.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.6 mt -85.5 -30.19 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -168.89 167.51 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 117.06 66.8 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.5 -75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 29.5 m-20 -50.6 -58.36 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.8 tttt 39.01 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.08 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -117.18 114.82 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -92.68 129.96 42.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -135.0 175.85 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.32 103.63 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -99.35 140.66 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CB ' ' HG2' ' A' ' 26' ' ' GLN . 12.2 p-10 -108.54 127.3 53.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 46' ' ' ARG . 71.4 t -146.84 166.02 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 1.5 mmm-85 -90.18 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.54 166.14 24.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -171.05 171.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -147.89 129.24 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -40.3 122.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.36 -31.47 4.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.67 150.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.436 ' CG1' ' HG3' ' A' ' 10' ' ' GLU . 59.0 mt -136.05 139.79 45.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.32 138.14 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.34 146.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 3.1 mm? -112.94 87.42 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.34 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 60' ' ' THR . 2.0 tt0 -150.84 -47.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER 79.96 -3.07 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 47.84 -175.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -150.19 -59.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 65.14 79.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.11 58.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -54.5 -60.39 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.27 65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 tp -41.25 113.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -34.85 75.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -38.68 -60.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 41.27 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.503 0.192 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.45 -143.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.92 112.5 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.34 19.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.93 99.29 9.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.36 122.31 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -85.87 113.53 52.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.19 30.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.2 124.21 46.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.87 125.86 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.4 t -55.68 120.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 ' CD1' HG22 ' A' ' 40' ' ' VAL . 7.1 pt -91.65 -35.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 12' ' ' ILE . 30.2 tt0 -162.96 142.96 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 HG23 ' CG1' ' A' ' 27' ' ' VAL . 19.9 mt -88.72 128.45 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -80.41 -77.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.89 144.98 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -91.26 148.02 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.1 t -139.11 -161.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' THR . . . -146.18 -119.27 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 64.25 -76.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.9 OUTLIER -60.95 -38.13 84.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.21 70.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 48.79 58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.8 t -75.79 159.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -144.16 105.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 17.4 mt-30 -88.52 142.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.222 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 26' ' ' GLN . 27.2 m -157.5 156.34 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -95.29 128.52 42.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 m -121.7 151.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HG2' ' N ' ' A' ' 31' ' ' ILE . 1.9 ttt180 -115.27 148.38 39.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 12.6 mt -73.26 124.75 30.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 10' ' ' GLU . 4.4 mm? -73.23 -38.43 66.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.21 167.19 16.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.205 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.17 64.85 0.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 -76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.91 -55.84 20.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt 41.31 89.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.22 -13.09 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.1 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 2.1 tpt180 -58.2 120.2 8.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG22 ' CD1' ' A' ' 12' ' ' ILE . 8.1 p -94.39 143.96 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 pt -148.49 175.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -118.98 103.24 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 143.37 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -113.75 114.15 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.28 148.75 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -86.1 134.48 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.13 -157.8 14.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -174.23 151.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 109.364 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 3.6 ttt180 -157.78 142.6 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 54.9 t -54.04 125.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 -25.64 8.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -47.42 135.02 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -109.6 139.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.5 mt -151.37 115.86 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.92 150.52 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.0 114.93 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.88 73.35 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 60' ' ' THR . 1.6 tt0 178.7 144.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.537 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER 163.87 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 152.65 44.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.0 141.3 51.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 119.85 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 65' ' ' ARG . . . -155.69 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER 82.33 -54.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.82 52.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.54 164.84 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.37 37.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.202 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -61.47 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 39.61 90.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.497 0.189 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -81.81 -55.43 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -36.8 116.72 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.97 15.65 2.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.66 10.98 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.522 ' C ' ' CG2' ' A' ' 56' ' ' ILE . . . -78.75 81.41 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' ' OE1' ' A' ' 61' ' ' GLU . 50.2 m-85 -72.31 112.76 15.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 6' ' ' GLY . 18.2 Cg_endo -75.01 143.93 29.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.35 135.6 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.46 124.97 53.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.471 HG13 ' CG2' ' A' ' 27' ' ' VAL . 81.3 t -51.16 133.84 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.464 HD12 ' CG2' ' A' ' 40' ' ' VAL . 1.1 pt -114.39 -35.53 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -162.83 143.32 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mt -97.16 140.09 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.0 mt -94.61 -81.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -179.31 -169.46 39.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 30.1 mtm-85 -101.59 169.49 8.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -166.26 45.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.444 ' CA ' HG21 ' A' ' 24' ' ' VAL . . . -121.11 53.11 0.71 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.4 m 67.02 -80.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 0.797 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -91.38 -24.35 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.39 45.25 0.1 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.481 1.113 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -89.5 -20.7 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 60.4 t -105.67 148.96 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 18.9 m -141.93 97.22 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -78.14 139.55 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' CG2' HG13 ' A' ' 11' ' ' VAL . 6.3 p -153.15 149.63 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' HG3' ' A' ' 42' ' ' ARG . 14.0 mtmm -94.57 132.39 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.37 140.69 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -106.84 147.01 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -75.15 100.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.48 -39.99 64.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.11 171.61 6.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . 119.14 40.84 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 84.33 -47.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 110.367 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 71.9 m-20 -92.54 30.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.25 88.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . 143.38 -32.04 1.89 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' HB3' ' A' ' 36' ' ' ASP . 27.3 ttm180 -49.87 119.95 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' HD12 ' A' ' 12' ' ' ILE . 8.5 p -106.06 148.38 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 pt -146.97 173.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -109.05 100.67 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.87 127.46 44.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -100.44 126.8 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 46' ' ' ARG . 16.8 t -135.69 154.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' HG11 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.27 130.16 35.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.581 1.176 . . . . 0.0 110.345 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 107.72 -178.08 21.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' C ' ' HG3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -169.29 173.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 49' ' ' VAL . 62.0 mtt180 -155.09 136.1 13.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.1 p -48.76 132.53 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.71 -22.61 23.62 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 1.0 OUTLIER -45.73 128.37 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 0.0 109.339 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -111.76 112.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.56 137.14 48.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.228 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.522 ' CG2' ' C ' ' A' ' 6' ' ' GLY . 1.0 OUTLIER -95.21 145.58 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 pp -140.77 130.11 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -45.82 7.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' THR . 2.3 tt0 -93.23 165.06 12.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER 82.18 7.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 7' ' ' TYR . 14.1 pt-20 -92.95 -35.9 13.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 22.0 ttt-85 -94.86 140.89 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -135.03 156.85 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -175.91 -64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.99 -61.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.73 69.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.64 -41.07 85.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 tttt 42.15 59.22 2.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -81.48 143.08 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.31 163.45 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.502 0.191 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -123.12 -44.44 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -36.39 118.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -150.97 20.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.23 9.82 42.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.77 -131.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 m-85 -112.52 93.98 25.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.18 16.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.54 125.98 41.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.39 140.85 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -65.89 126.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 pp -106.6 -32.5 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -162.59 143.04 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -98.32 124.42 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 HD13 ' CD ' ' A' ' 42' ' ' ARG . 5.7 mt -77.9 -65.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.32 -137.85 5.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -128.99 152.32 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.779 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -145.83 56.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.84 157.37 15.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -44.08 -53.63 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.3 -18.06 13.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.66 49.15 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -98.6 -34.42 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.19 148.01 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -136.25 109.48 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 136.48 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -149.3 155.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -96.08 135.96 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.27 135.04 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NE ' ' HA2' ' A' ' 38' ' ' GLY . 3.8 ttt180 -98.81 149.75 22.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.05 111.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD1' HD13 ' A' ' 54' ' ' ILE . 2.4 mt -64.39 -43.47 94.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.43 167.88 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.8 -126.33 3.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -40.52 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -91.9 -39.59 11.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 37.53 88.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' ' NE ' ' A' ' 30' ' ' ARG . . . 116.19 37.09 1.05 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.609 ' NH2' HH21 ' A' ' 62' ' ' ARG . 11.2 ttt85 -117.27 117.81 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 p -78.44 136.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 pt -140.13 177.48 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' CD ' HD13 ' A' ' 15' ' ' ILE . 38.8 ttp180 -128.44 103.91 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.82 138.86 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -112.92 120.27 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -144.99 151.58 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -83.76 126.99 33.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.58 160.66 10.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.34 7.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -167.67 179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.43 144.08 19.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 p -47.27 129.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.06 -25.75 9.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.94 147.19 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 32' ' ' LEU . 81.0 mt -130.85 138.58 53.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mp -136.81 137.34 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 4' ' ' ASP . 0.4 OUTLIER -96.99 -135.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.517 ' CD1' ' HB3' ' A' ' 59' ' ' GLU . 0.1 OUTLIER 87.98 140.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 109.252 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 11.8 mtt180 -94.06 -40.61 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 13.6 tm-20 -38.55 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 58' ' ' ARG . 7.1 t -80.89 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.87 -26.68 19.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.609 HH21 ' NH2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER 63.7 114.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.65 67.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.65 135.83 28.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -37.9 82.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 77.0 70.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.212 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pp -99.25 177.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.98 60.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 m -99.82 118.6 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -149.59 133.09 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.509 0.195 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.84 161.18 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.72 111.14 23.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.02 20.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -112.54 99.66 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.0 -137.28 3.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.8 m-85 -116.3 80.86 10.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.19 38.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.7 148.32 51.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 37.6 tt0 -113.53 133.03 55.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.45 125.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.2 -32.65 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -162.76 142.95 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.2 mt -93.69 138.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mt -80.64 -65.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 126.59 0.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.6 153.24 42.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.479 ' HG1' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -145.95 -73.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.378 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.479 ' N ' ' HG1' ' A' ' 18' ' ' THR . . . 53.22 169.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.8 p -54.94 -44.51 74.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 0.722 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -120.81 -37.6 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.19 47.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.38 -29.28 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 109.258 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.71 148.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 74.0 m -147.33 96.86 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.66 139.97 35.91 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 110.27 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -150.28 157.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -97.99 131.04 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.28 134.14 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -99.87 145.77 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.08 120.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.6 -36.52 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -158.65 168.83 25.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.24 60.98 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -73.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.257 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -57.18 -49.64 75.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 2.7 ptmt 33.3 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.45 41.83 0.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -117.95 111.62 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 p -83.13 128.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 33.6 pt -134.68 170.84 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.87 99.37 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.17 140.04 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -101.07 118.19 36.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 46' ' ' ARG . 15.6 t -127.47 149.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.9 mtp180 -91.44 129.83 37.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 105.63 176.7 24.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.82 31.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 1.3 t -120.52 161.54 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 48.7 mtt-85 -145.5 129.4 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -41.27 128.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.53 -16.43 26.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.86 128.21 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 10' ' ' GLU . 17.8 mm -115.08 130.44 69.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.36 124.67 26.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mm -73.89 136.39 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' CD2' ' HB ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -115.3 154.85 28.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 3.3 mtp180 -78.72 -23.37 45.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' O ' ' CG2' ' A' ' 60' ' ' THR . 1.7 mt-10 158.54 -23.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.538 ' CG2' ' O ' ' A' ' 59' ' ' GLU . 13.5 t 51.26 37.11 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.19 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -38.38 -54.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 15.3 ttp85 83.41 -66.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -74.06 176.42 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.12 122.64 3.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -44.35 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -153.67 -62.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.1 tp 53.46 173.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.59 49.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -72.51 78.87 1.05 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 141.34 40.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.546 0.212 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.486 ' C ' ' CG ' ' A' ' 3' ' ' GLU . . . -64.66 -71.04 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' C ' ' A' ' 2' ' ' ALA . 1.2 mt-10 77.07 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.61 18.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.64 98.85 10.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.49 -116.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -111.4 96.88 33.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 0.811 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.19 28.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.2 133.35 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -111.45 131.14 55.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 53' ' ' ASP . 59.3 t -51.89 130.82 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.3 pt -111.34 -31.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -162.48 143.47 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.17 130.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 51.4 mt -84.3 -81.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.23 140.73 3.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 ptt-85 -75.48 152.13 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -125.61 27.95 6.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.89 176.07 22.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -67.85 -61.15 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.7 m -102.19 -26.49 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.73 59.07 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.43 -37.37 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.09 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 3.1 m -117.29 105.72 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -91.39 143.03 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.41 169.31 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' CD1' ' A' ' 15' ' ' ILE . 2.7 mtmt -102.03 134.17 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.0 m -127.82 144.59 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -110.59 149.28 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mt -71.85 124.73 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.3 mt -78.1 -28.72 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.434 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.8 tt0 -169.15 168.67 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.6 -107.02 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -32.61 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -106.91 -31.59 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 32.91 88.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 36' ' ' ASP . 1.8 ttt85 -61.93 128.59 36.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.763 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.62 135.03 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.0 pt -138.25 176.51 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.32 115.03 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -125.0 171.64 10.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -99.93 142.01 31.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -141.75 160.54 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 142.3 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 96.67 179.76 34.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 2.19 6.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.413 ' O ' ' O ' ' A' ' 48' ' ' PRO . 40.3 t 60.18 149.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -143.66 128.53 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.84 146.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.66 42.73 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 17.8 t70 -49.39 133.9 19.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.6 mt -111.49 141.77 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.9 122.16 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.6 mt -90.59 144.51 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.7 130.91 53.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -56.72 -55.74 30.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -151.87 -71.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 t -152.25 -47.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.45 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.17 -62.8 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.96 106.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.5 174.64 9.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.14 171.96 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.6 -1.81 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 73.57 61.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -88.97 -148.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.378 1.049 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.512 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 0.0 OUTLIER 179.78 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.65 163.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.65 167.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.8 -158.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -156.58 136.92 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.44 15.55 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.33 10.42 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.08 -134.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 7' ' ' TYR . 7.4 t80 -133.76 81.06 54.0 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.608 0.828 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HB2' ' CD1' ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.06 159.51 41.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.92 131.36 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -110.22 138.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.48 127.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 pt -97.57 -39.42 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.67 143.32 9.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.469 HD12 ' CG1' ' A' ' 49' ' ' VAL . 11.1 mm -78.92 143.98 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -98.31 -74.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.94 165.23 25.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 155.96 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 0.725 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 18' ' ' THR . 1.4 m -154.66 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -157.4 33.57 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 21' ' ' THR . 1.7 m 64.72 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 ' N ' HG21 ' A' ' 20' ' ' THR . 1.2 m -82.61 -39.19 22.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.51 44.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -77.53 -38.27 49.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.3 t -130.4 153.5 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -144.9 116.19 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.57 145.94 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -159.84 141.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -85.95 138.45 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.28 160.99 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -125.19 148.16 48.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -71.55 125.44 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -71.12 -39.54 71.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -169.87 168.59 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.44 -136.15 7.7 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.52 16.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' LYS . 16.8 m-20 -86.42 -43.45 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' ASP . 18.8 ttpt 36.64 88.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.67 34.67 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 130.47 56.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.61 137.55 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.369 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 pt -144.92 176.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -114.46 100.74 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.18 134.63 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -108.84 117.6 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 46' ' ' ARG . 92.0 t -114.45 167.72 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -92.64 129.41 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -178.94 37.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 142.72 27.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -113.95 175.39 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.408 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -157.53 142.45 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t -49.93 144.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.08 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.67 -27.97 11.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.09 123.67 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.03 141.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 pp -155.35 152.06 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mt -110.68 147.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mt -125.75 20.64 7.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 69.12 -60.49 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -163.13 169.14 19.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.4 p -52.53 -31.54 36.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.67 -175.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 61.99 -88.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.77 116.01 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.29 56.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.93 -54.18 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.6 tt0 84.3 36.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER 36.69 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 34.6 tttp -175.05 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m 60.54 169.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.07 137.71 16.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.48 0.181 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.18 -166.78 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -124.34 135.51 53.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.89 20.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.49 8.74 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 -138.21 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -137.43 87.33 18.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.752 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.11 41.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.17 148.81 35.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -116.9 143.05 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 ' HA ' ' CG1' ' A' ' 29' ' ' VAL . 83.5 t -68.18 125.04 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.458 ' CG2' ' HG2' ' A' ' 30' ' ' ARG . 44.9 pt -100.0 -40.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.62 143.28 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.353 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' CG2' HG12 ' A' ' 27' ' ' VAL . 3.7 mt -97.17 136.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 mt -79.82 -66.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.199 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.22 137.27 2.26 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -67.31 154.89 40.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 18' ' ' THR . 6.0 t -146.54 115.65 6.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 68.54 2.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -113.08 -30.42 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.3 m -116.7 -42.37 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.06 58.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.411 1.07 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 47.16 54.57 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -76.84 146.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -125.82 102.11 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -87.37 120.78 29.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' CG2' ' A' ' 14' ' ' ILE . 16.2 m -131.69 152.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -100.73 133.47 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 11' ' ' VAL . 30.7 m -133.2 150.14 32.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' HG2' ' CG2' ' A' ' 12' ' ' ILE . 1.2 ptt180 -111.5 150.46 29.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.08 124.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.08 -42.64 84.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 168.77 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.23 -108.64 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -31.88 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' LYS . 68.5 m-20 -103.21 -31.72 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ASP . 63.8 tttt 39.14 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.49 -10.41 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -50.59 110.94 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 m -82.45 139.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.5 pt -145.36 173.63 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.36 101.45 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.59 140.31 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -106.28 113.36 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -119.83 179.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -105.25 136.8 44.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.37 169.42 45.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.47 14.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 ' CG1' HG12 ' A' ' 14' ' ' ILE . 0.5 OUTLIER -148.22 -166.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 0.1 OUTLIER -158.01 141.4 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 47.8 t -50.35 117.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 -34.8 2.58 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.72 150.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.8 mt -134.72 146.32 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.95 144.72 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 57' ' ' LEU . 1.6 mt -106.69 153.2 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 60' ' ' THR . 0.0 OUTLIER -141.76 151.48 42.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' CD ' ' C ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -123.0 -66.61 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.71 -47.73 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.426 ' CG2' HD23 ' A' ' 57' ' ' LEU . 68.7 p 46.33 37.07 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -47.66 169.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.37 136.44 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.66 105.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.07 102.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -52.37 42.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 74.12 68.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 tp -94.62 163.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.29 37.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.93 100.36 12.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.6 173.3 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.266 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.579 0.228 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.11 -98.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -168.45 -140.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.475 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -152.44 20.61 0.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.02 99.65 8.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.3 -83.3 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -128.64 92.43 40.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 111.019 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 146.62 32.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -132.41 124.1 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 17.3 tt0 -99.84 126.92 46.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.67 131.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -113.09 -35.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -162.65 143.29 9.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.8 mm -91.85 148.38 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -93.48 -70.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.5 -163.92 36.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 -120.03 152.48 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -144.26 144.84 31.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.73 50.04 0.86 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -103.49 -17.81 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.427 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -120.48 -41.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.78 64.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.85 57.84 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.59 149.84 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -122.93 107.08 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.87 132.85 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 m -141.2 149.07 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -102.62 128.04 49.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG23 ' CB ' ' A' ' 9' ' ' ALA . 20.0 m -127.14 145.36 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.5 ttp180 -105.55 147.49 28.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.97 128.28 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 10' ' ' GLU . 4.3 mm? -79.91 -34.3 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -164.85 175.03 9.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 111.38 67.66 0.54 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 -76.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -50.48 -57.65 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER 39.72 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.272 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.69 39.35 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.76 118.17 32.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -90.68 115.89 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.143 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.9 pt -116.54 164.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -119.51 103.09 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -99.2 146.91 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -115.79 104.17 11.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 46' ' ' ARG . 78.6 t -122.59 164.54 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' N ' ' CG1' ' A' ' 45' ' ' VAL . 4.0 mmt85 -92.53 135.61 33.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.65 156.48 25.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -172.98 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -167.65 -166.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -156.05 136.34 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -41.38 143.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.06 -23.72 34.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.599 1.187 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -48.28 140.73 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.85 126.16 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.8 122.83 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 mt -92.91 146.11 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.97 131.15 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.382 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -61.63 -64.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.26 -175.92 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' ARG . 1.2 m -70.97 -30.02 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.071 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.8 mt-10 64.56 -79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER 82.39 106.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.38 -179.65 4.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 103.63 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -56.44 -53.23 59.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 65' ' ' ARG . 10.5 pt-20 46.37 30.77 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.409 ' CD1' ' C ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER 41.96 -162.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -172.75 47.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -68.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 66.5 142.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.53 0.205 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -89.22 -88.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -35.25 112.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 15.74 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 9.57 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.32 143.19 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -78.82 113.9 39.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.756 . . . . 0.0 111.032 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 175.78 10.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.3 141.39 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' CG ' HD13 ' A' ' 54' ' ' ILE . 1.3 tm-20 -116.28 127.64 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.415 ' CG2' HG13 ' A' ' 29' ' ' VAL . 53.2 t -61.4 130.77 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.12 -34.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -162.85 144.01 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.231 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.7 mp -95.39 118.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.39 -178.48 37.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -71.41 144.11 49.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.1 m -139.11 53.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.49 41.42 2.16 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 t -40.77 -46.3 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -112.09 -28.05 8.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.38 -131.29 3.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.76 47.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -74.84 156.92 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 m -130.3 108.69 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -86.69 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.96 153.94 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -93.72 131.7 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 11' ' ' VAL . 5.5 m -130.58 138.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -101.29 148.21 25.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.46 -34.17 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 2.3 tt0 -168.87 177.69 4.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.81 -105.11 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -33.93 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -102.99 -31.34 10.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 9.4 ptmt 32.95 88.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.96 41.1 0.27 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -117.26 118.3 31.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -87.57 121.48 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -127.04 -179.99 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 103.88 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.56 143.23 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -106.59 115.46 30.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.08 147.48 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 145.54 32.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.9 171.02 34.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.3 37.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 2.3 t -126.82 165.02 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.52 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.4 ttm180 -155.86 140.57 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 62.5 t -44.97 134.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.74 -30.47 9.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.18 131.29 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.417 HD13 ' CG ' ' A' ' 10' ' ' GLU . 35.4 mm -115.0 129.09 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 mp -144.03 -179.62 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 mt -141.85 144.98 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.8 139.09 50.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -72.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.07 162.73 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.7 p -62.08 -18.15 59.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.93 -37.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER 62.81 175.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ARG . 8.4 pt-20 38.15 73.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 65' ' ' ARG . . . -144.13 158.65 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER 77.18 -0.41 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -115.15 33.37 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -40.19 -37.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER 177.92 -34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.38 -62.89 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -161.63 -63.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' C ' HG23 ' A' ' 56' ' ' ILE . 40.4 p90 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.524 0.202 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.51 37.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' ARG . . . -129.3 133.18 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -102.88 134.79 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 HG12 ' A' ' 29' ' ' VAL . 98.2 t -59.51 127.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.34 -37.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -162.86 143.01 9.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 27' ' ' VAL . 15.1 mt -93.18 138.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.843 HD11 ' HG3' ' A' ' 28' ' ' LYS . 6.4 mt -83.91 -62.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.71 -140.5 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -136.15 113.5 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -91.66 133.11 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 49' ' ' VAL . 15.7 m -137.91 152.42 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.843 ' HG3' HD11 ' A' ' 15' ' ' ILE . 26.8 mttp -101.43 131.31 47.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 11' ' ' VAL . 28.4 m -131.51 152.93 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB2' HG12 ' A' ' 40' ' ' VAL . 26.5 ttp180 -116.17 148.23 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -70.92 130.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 10' ' ' GLU . 37.6 mt -85.5 -30.19 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -168.89 167.51 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 117.06 66.8 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.5 -75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 29.5 m-20 -50.6 -58.36 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.8 tttt 39.01 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.08 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -117.18 114.82 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 30' ' ' ARG . 5.2 m -92.68 129.96 42.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -135.0 175.85 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.32 103.63 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -99.35 140.66 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CB ' ' HG2' ' A' ' 26' ' ' GLN . 12.2 p-10 -108.54 127.3 53.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 46' ' ' ARG . 71.4 t -146.84 166.02 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.513 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.5 mmm-85 -90.18 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.54 166.14 24.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 27' ' ' VAL . 9.9 p -171.05 171.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' H ' HG22 ' A' ' 49' ' ' VAL . 55.7 mtt180 -147.89 129.24 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -40.3 122.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.36 -31.47 4.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.67 150.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG1' ' HG3' ' A' ' 10' ' ' GLU . 59.0 mt -136.05 139.79 45.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.32 138.14 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.61 ' C ' HG23 ' A' ' 56' ' ' ILE . 11.5 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.494 0.188 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.19 30.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . -119.2 124.21 46.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 1.001 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.87 125.86 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -55.68 120.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.1 pt -91.65 -35.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 30.2 tt0 -162.96 142.96 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.843 HG23 HG12 ' A' ' 27' ' ' VAL . 19.9 mt -88.72 128.45 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -80.41 -77.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.89 144.98 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.282 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 25' ' ' THR . 58.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.429 HG21 ' HB ' ' A' ' 49' ' ' VAL . 1.3 m -144.16 105.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 27' ' ' VAL . 17.4 mt-30 -88.52 142.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.222 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.843 HG12 HG23 ' A' ' 14' ' ' ILE . 27.2 m -157.5 156.34 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 5.4 mttm -95.29 128.52 42.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG12 HG22 ' A' ' 11' ' ' VAL . 8.4 m -121.7 151.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.566 ' HB2' HG21 ' A' ' 12' ' ' ILE . 1.9 ttt180 -115.27 148.38 39.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 39' ' ' ARG . 12.6 mt -73.26 124.75 30.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.001 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.4 mm? -73.23 -38.43 66.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.21 167.19 16.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.205 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.17 64.85 0.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 -76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.91 -55.84 20.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt 41.31 89.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.22 -13.09 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.1 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tpt180 -58.2 120.2 8.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 12' ' ' ILE . 8.1 p -94.39 143.96 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 4.7 pt -148.49 175.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -118.98 103.24 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 143.37 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -113.75 114.15 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.682 HG21 ' CD1' ' A' ' 55' ' ' LEU . 77.5 t -121.28 148.75 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -86.1 134.48 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.13 -157.8 14.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.672 HG21 HG11 ' A' ' 27' ' ' VAL . 6.0 p -174.23 151.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 3.6 ttt180 -157.78 142.6 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 54.9 t -54.04 125.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 -25.64 8.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -47.42 135.02 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -109.6 139.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 45' ' ' VAL . 20.5 mt -151.37 115.86 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.718 ' C ' HG23 ' A' ' 56' ' ' ILE . 50.2 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.93 29.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.711 ' O ' HD13 ' A' ' 54' ' ' ILE . . . -130.35 135.6 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.46 124.97 53.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 53' ' ' ASP . 81.3 t -51.16 133.84 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.1 pt -114.39 -35.53 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -162.83 143.32 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' HA ' HG23 ' A' ' 27' ' ' VAL . 13.7 mt -97.16 140.09 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.0 mt -94.61 -81.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -179.31 -169.46 39.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 30.1 mtm-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 60.4 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 18.9 m -141.93 97.22 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -78.14 139.55 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 14' ' ' ILE . 6.3 p -153.15 149.63 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' HG3' ' A' ' 42' ' ' ARG . 14.0 mtmm -94.57 132.39 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.37 140.69 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.636 ' HB2' HG21 ' A' ' 12' ' ' ILE . 26.8 ttp180 -106.84 147.01 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -75.15 100.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -53.48 -39.99 64.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.11 171.61 6.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . 119.14 40.84 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 84.33 -47.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 110.367 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 71.9 m-20 -92.54 30.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.25 88.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . 143.38 -32.04 1.89 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' HB3' ' A' ' 36' ' ' ASP . 27.3 ttm180 -49.87 119.95 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.5 p -106.06 148.38 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 pt -146.97 173.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -109.05 100.67 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.87 127.46 44.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -100.44 126.8 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -135.69 154.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.27 130.16 35.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.581 1.176 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 107.72 -178.08 21.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' C ' ' HG3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -169.29 173.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 49' ' ' VAL . 62.0 mtt180 -155.09 136.1 13.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.1 p -48.76 132.53 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.71 -22.61 23.62 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -45.73 128.37 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 0.0 109.339 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -111.76 112.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.56 137.14 48.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.228 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.718 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.49 0.186 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.18 16.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 29' ' ' VAL . . . -127.54 125.98 41.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' ASP . 0.8 OUTLIER -96.39 140.85 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.451 HG22 HG12 ' A' ' 29' ' ' VAL . 41.9 t -65.89 126.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HG23 ' A' ' 40' ' ' VAL . 1.8 pp -106.6 -32.5 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -162.59 143.04 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 27' ' ' VAL . 40.7 mt -98.32 124.42 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.812 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.7 mt -77.9 -65.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.32 -137.85 5.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.779 . . . . 0.0 110.293 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -136.25 109.48 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 136.48 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 14' ' ' ILE . 14.5 t -149.3 155.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' ' 15' ' ' ILE . 17.4 mttt -96.08 135.96 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' HB1' ' A' ' 9' ' ' ALA . 16.6 m -136.27 135.04 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NE ' ' HA2' ' A' ' 38' ' ' GLY . 3.8 ttt180 -98.81 149.75 22.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.05 111.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.39 -43.47 94.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.43 167.88 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.8 -126.33 3.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -40.52 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -91.9 -39.59 11.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 37.53 88.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' ' NE ' ' A' ' 30' ' ' ARG . . . 116.19 37.09 1.05 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -117.27 117.81 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 110.331 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 12' ' ' ILE . 4.2 p -78.44 136.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 5.1 pt -140.13 177.48 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.701 ' HD2' HD13 ' A' ' 15' ' ' ILE . 38.8 ttp180 -128.44 103.91 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.82 138.86 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -112.92 120.27 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -144.99 151.58 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -83.76 126.99 33.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.58 160.66 10.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.34 7.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.8 p -167.67 179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -156.43 144.08 19.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 p -47.27 129.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.06 -25.75 9.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -54.94 147.19 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -130.85 138.58 53.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mp -136.81 137.34 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.459 0.171 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HG3' HD13 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.06 161.19 38.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 29' ' ' VAL . . . -129.7 148.32 51.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HB2' HD11 ' A' ' 32' ' ' LEU . 37.6 tt0 -113.53 133.03 55.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.483 HG22 ' CG1' ' A' ' 29' ' ' VAL . 75.2 t -65.45 125.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -110.2 -32.65 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -162.76 142.95 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.654 HG23 HG12 ' A' ' 27' ' ' VAL . 7.2 mt -93.69 138.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.3 mt -80.64 -65.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 126.59 0.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 74.0 m -147.33 96.86 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.66 139.97 35.91 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 110.27 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 14' ' ' ILE . 16.0 m -150.28 157.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HB3' HD11 ' A' ' 12' ' ' ILE . 29.7 mtmt -97.99 131.04 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' HG22 ' A' ' 11' ' ' VAL . 22.0 m -130.28 134.14 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -99.87 145.77 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.08 120.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.896 HD11 HD12 ' A' ' 54' ' ' ILE . 3.9 mt -74.6 -36.52 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 168.83 25.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.24 60.98 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -73.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.257 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -57.18 -49.64 75.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 2.7 ptmt 33.3 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.45 41.83 0.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -117.95 111.62 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 40' ' ' VAL . 3.6 p -83.13 128.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 33.6 pt -134.68 170.84 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.87 99.37 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.17 140.04 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -101.07 118.19 36.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.47 149.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -91.44 129.83 37.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 105.63 176.7 24.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.82 31.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 1.3 t -120.52 161.54 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 48.7 mtt-85 -145.5 129.4 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -41.27 128.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.53 -16.43 26.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.591 ' O ' HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -54.86 128.21 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.372 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.896 HD12 HD11 ' A' ' 32' ' ' LEU . 17.8 mm -115.08 130.44 69.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -134.36 124.67 26.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 8' ' ' PRO . 2.2 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.698 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.2 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.521 0.201 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.19 28.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.538 ' HB3' HH22 ' A' ' 43' ' ' ARG . . . -128.2 133.35 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 32' ' ' LEU . 2.8 tt0 -111.45 131.14 55.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 29' ' ' VAL . 59.3 t -51.89 130.82 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.3 pt -111.34 -31.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -162.48 143.47 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 27' ' ' VAL . 61.5 mt -89.17 130.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.848 HD11 ' HG3' ' A' ' 28' ' ' LYS . 51.4 mt -84.3 -81.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.23 140.73 3.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HB3' HG23 ' A' ' 25' ' ' THR . 7.3 ptt-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 17' ' ' ARG . 3.1 m -117.29 105.72 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -91.39 143.03 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 49' ' ' VAL . 24.4 m -148.41 169.31 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HG3' HD11 ' A' ' 15' ' ' ILE . 2.7 mtmt -102.03 134.17 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 11' ' ' VAL . 25.0 m -127.82 144.59 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.544 ' HB2' HG21 ' A' ' 12' ' ' ILE . 19.8 ttp180 -110.59 149.28 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.85 124.73 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 10' ' ' GLU . 31.3 mt -78.1 -28.72 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.8 tt0 -169.15 168.67 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.6 -107.02 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -32.61 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -106.91 -31.59 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 32.91 88.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 36' ' ' ASP . 1.8 ttt85 -61.93 128.59 36.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.763 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.62 135.03 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 pt -138.25 176.51 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.32 115.03 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.538 HH22 ' HB3' ' A' ' 9' ' ' ALA . 1.4 ptp85 -125.0 171.64 10.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -99.93 142.01 31.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -141.75 160.54 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 142.3 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 96.67 179.76 34.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 2.19 6.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 27' ' ' VAL . 40.3 t 60.18 149.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -143.66 128.53 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.84 146.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.66 42.73 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 17.8 t70 -49.39 133.9 19.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.6 mt -111.49 141.77 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.9 122.16 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.698 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.621 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.4 t80 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.51 0.195 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.06 159.51 41.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.92 131.36 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -110.22 138.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' CG2' ' A' ' 27' ' ' VAL . 55.6 t -67.48 127.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' A' ' 30' ' ' ARG . 43.4 pt -97.57 -39.42 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.67 143.32 9.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.905 HD12 ' CG1' ' A' ' 49' ' ' VAL . 11.1 mm -78.92 143.98 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -98.31 -74.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.94 165.23 25.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.433 0.725 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -144.9 116.19 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.57 145.94 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' HG13 ' A' ' 11' ' ' VAL . 1.3 p -159.84 141.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -85.95 138.45 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.28 160.99 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' HG21 ' A' ' 12' ' ' ILE . 4.7 ttm180 -125.19 148.16 48.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -71.55 125.44 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -71.12 -39.54 71.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -169.87 168.59 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.44 -136.15 7.7 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.52 16.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' LYS . 16.8 m-20 -86.42 -43.45 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' ASP . 18.8 ttpt 36.64 88.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.67 34.67 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 130.47 56.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.61 137.55 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.369 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 pt -144.92 176.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -114.46 100.74 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.18 134.63 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -108.84 117.6 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 46' ' ' ARG . 92.0 t -114.45 167.72 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -92.64 129.41 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -178.94 37.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 142.72 27.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.905 ' CG1' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -113.95 175.39 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.595 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -157.53 142.45 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t -49.93 144.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.08 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.67 -27.97 11.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.09 123.67 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.03 141.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.4 pp -155.35 152.06 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.621 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.7 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.3 m-85 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.492 0.187 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.11 41.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HD12 ' A' ' 32' ' ' LEU . . . -144.17 148.81 35.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -116.9 143.05 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 29' ' ' VAL . 83.5 t -68.18 125.04 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.551 HG22 ' HE ' ' A' ' 30' ' ' ARG . 44.9 pt -100.0 -40.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.62 143.28 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.353 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 1.113 HG23 HG12 ' A' ' 27' ' ' VAL . 3.7 mt -97.17 136.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.456 HD11 ' HG3' ' A' ' 42' ' ' ARG . 9.5 mt -79.82 -66.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.199 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.22 137.27 2.26 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -125.82 102.11 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -87.37 120.78 29.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.113 HG12 HG23 ' A' ' 14' ' ' ILE . 16.2 m -131.69 152.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 40.8 mttt -100.73 133.47 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 11' ' ' VAL . 30.7 m -133.2 150.14 32.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HE ' HG22 ' A' ' 12' ' ' ILE . 1.2 ptt180 -111.5 150.46 29.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.08 124.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' CA ' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -67.08 -42.64 84.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 168.77 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.23 -108.64 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -31.88 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' LYS . 68.5 m-20 -103.21 -31.72 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ASP . 63.8 tttt 39.14 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.49 -10.41 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -50.59 110.94 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 m -82.45 139.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 19.5 pt -145.36 173.63 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -122.36 101.45 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.59 140.31 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -106.28 113.36 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -119.83 179.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -105.25 136.8 44.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.37 169.42 45.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.47 14.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -148.22 -166.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.62 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -158.01 141.4 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 47.8 t -50.35 117.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 -34.8 2.58 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.72 150.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 32' ' ' LEU . 4.8 mt -134.72 146.32 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.95 144.72 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.634 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.0 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.465 0.174 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 146.62 32.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.41 124.1 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.978 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.3 tt0 -99.84 126.92 46.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.591 ' HA ' HG12 ' A' ' 29' ' ' VAL . 70.5 t -52.67 131.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.6 pp -113.09 -35.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -162.65 143.29 9.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG23 HG12 ' A' ' 27' ' ' VAL . 32.8 mm -91.85 148.38 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.651 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.2 mp -93.48 -70.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.5 -163.92 36.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.272 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -122.93 107.08 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.87 132.85 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 23.2 m -141.2 149.07 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 15' ' ' ILE . 5.4 mttt -102.62 128.04 49.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 11' ' ' VAL . 20.0 m -127.14 145.36 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HB2' HG21 ' A' ' 12' ' ' ILE . 6.5 ttp180 -105.55 147.49 28.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.97 128.28 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.3 mm? -79.91 -34.3 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -164.85 175.03 9.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 111.38 67.66 0.54 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 -76.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -50.48 -57.65 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER 39.72 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.272 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.69 39.35 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.76 118.17 32.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -90.68 115.89 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.143 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 38.9 pt -116.54 164.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -119.51 103.09 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -99.2 146.91 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -115.79 104.17 11.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 46' ' ' ARG . 78.6 t -122.59 164.54 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' N ' HG12 ' A' ' 45' ' ' VAL . 4.0 mmt85 -92.53 135.61 33.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.65 156.48 25.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -172.98 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.4 p -167.65 -166.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' VAL . 81.2 mtt180 -156.05 136.34 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -41.38 143.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.06 -23.72 34.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.599 1.187 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -48.28 140.73 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.85 126.16 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.8 122.83 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.634 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.75 ' C ' HG23 ' A' ' 56' ' ' ILE . 48.9 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.0 175.78 10.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.3 141.39 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.692 ' HG3' HD11 ' A' ' 54' ' ' ILE . 1.3 tm-20 -116.28 127.64 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 29' ' ' VAL . 53.2 t -61.4 130.77 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.12 -34.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -162.85 144.01 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.231 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.932 HG23 HG12 ' A' ' 27' ' ' VAL . 2.7 mp -95.39 118.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.674 HD11 ' HG3' ' A' ' 28' ' ' LYS . 71.7 mt -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.39 -178.48 37.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 m -130.3 108.69 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -86.69 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.932 HG12 HG23 ' A' ' 14' ' ' ILE . 33.3 m -142.96 153.94 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 15' ' ' ILE . 11.2 mttt -93.72 131.7 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 11' ' ' VAL . 5.5 m -130.58 138.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 12.2 ttm180 -101.29 148.21 25.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 54' ' ' ILE . 1.4 mt -75.46 -34.17 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 2.3 tt0 -168.87 177.69 4.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.81 -105.11 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -33.93 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -102.99 -31.34 10.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 9.4 ptmt 32.95 88.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.96 41.1 0.27 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.8 ttt180 -117.26 118.3 31.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -87.57 121.48 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -127.04 -179.99 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 103.88 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.56 143.23 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -106.59 115.46 30.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.08 147.48 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 145.54 32.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.9 171.02 34.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.3 37.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 2.3 t -126.82 165.02 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.4 ttm180 -155.86 140.57 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 62.5 t -44.97 134.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.74 -30.47 9.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.18 131.29 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.692 HD11 ' HG3' ' A' ' 10' ' ' GLU . 35.4 mm -115.0 129.09 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 2.4 mp -144.03 -179.62 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.75 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.643 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 41.7 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.514 0.197 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 80.69 -56.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -36.65 116.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.24 20.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 10.13 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.97 125.13 1.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' C ' HG23 ' A' ' 56' ' ' ILE . 40.4 p90 -101.44 116.85 63.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.51 37.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' ARG . . . -129.3 133.18 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -102.88 134.79 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 HG12 ' A' ' 29' ' ' VAL . 98.2 t -59.51 127.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.34 -37.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -162.86 143.01 9.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 27' ' ' VAL . 15.1 mt -93.18 138.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.843 HD11 ' HG3' ' A' ' 28' ' ' LYS . 6.4 mt -83.91 -62.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.71 -140.5 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 171.75 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 m -135.26 -46.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' THR . . . 54.96 -145.75 29.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m 63.73 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.3 m -60.37 -38.64 84.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.87 76.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 43.94 51.97 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 ' HB ' ' A' ' 21' ' ' THR . 71.8 t -76.15 157.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -136.15 113.5 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -91.66 133.11 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 49' ' ' VAL . 15.7 m -137.91 152.42 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.843 ' HG3' HD11 ' A' ' 15' ' ' ILE . 26.8 mttp -101.43 131.31 47.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 11' ' ' VAL . 28.4 m -131.51 152.93 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB2' HG12 ' A' ' 40' ' ' VAL . 26.5 ttp180 -116.17 148.23 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -70.92 130.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 10' ' ' GLU . 37.6 mt -85.5 -30.19 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -168.89 167.51 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 117.06 66.8 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.5 -75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 29.5 m-20 -50.6 -58.36 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.8 tttt 39.01 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.08 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -117.18 114.82 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 30' ' ' ARG . 5.2 m -92.68 129.96 42.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -135.0 175.85 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.32 103.63 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -99.35 140.66 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CB ' ' HG2' ' A' ' 26' ' ' GLN . 12.2 p-10 -108.54 127.3 53.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 46' ' ' ARG . 71.4 t -146.84 166.02 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.513 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.5 mmm-85 -90.18 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.54 166.14 24.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 27' ' ' VAL . 9.9 p -171.05 171.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' H ' HG22 ' A' ' 49' ' ' VAL . 55.7 mtt180 -147.89 129.24 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -40.3 122.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.36 -31.47 4.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.67 150.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG1' ' HG3' ' A' ' 10' ' ' GLU . 59.0 mt -136.05 139.79 45.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.32 138.14 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -87.34 146.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 3.1 mm? -112.94 87.42 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.34 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 60' ' ' THR . 2.0 tt0 -150.84 -47.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER 79.96 -3.07 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 47.84 -175.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -150.19 -59.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 65.14 79.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.11 58.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -54.5 -60.39 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.27 65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 tp -41.25 113.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -34.85 75.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -38.68 -60.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 41.27 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.503 0.192 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.45 -143.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.92 112.5 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.34 19.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.93 99.29 9.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.36 122.31 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.61 ' C ' HG23 ' A' ' 56' ' ' ILE . 11.5 m-85 -85.87 113.53 52.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.19 30.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . -119.2 124.21 46.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 1.001 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.87 125.86 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -55.68 120.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.1 pt -91.65 -35.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 30.2 tt0 -162.96 142.96 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.843 HG23 HG12 ' A' ' 27' ' ' VAL . 19.9 mt -88.72 128.45 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -80.41 -77.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.89 144.98 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -91.26 148.02 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 19' ' ' GLY . 10.1 t -139.11 -161.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' THR . . . -146.18 -119.27 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' THR . 1.1 m 64.25 -76.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 20' ' ' THR . 0.9 OUTLIER -60.95 -38.13 84.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.21 70.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 48.79 58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' A' ' 21' ' ' THR . 58.8 t -75.79 159.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.429 HG21 ' HB ' ' A' ' 49' ' ' VAL . 1.3 m -144.16 105.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 27' ' ' VAL . 17.4 mt-30 -88.52 142.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.222 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.843 HG12 HG23 ' A' ' 14' ' ' ILE . 27.2 m -157.5 156.34 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 5.4 mttm -95.29 128.52 42.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG12 HG22 ' A' ' 11' ' ' VAL . 8.4 m -121.7 151.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.566 ' HB2' HG21 ' A' ' 12' ' ' ILE . 1.9 ttt180 -115.27 148.38 39.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 39' ' ' ARG . 12.6 mt -73.26 124.75 30.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.001 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.4 mm? -73.23 -38.43 66.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.21 167.19 16.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.205 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.17 64.85 0.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 -76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.91 -55.84 20.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt 41.31 89.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.22 -13.09 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.1 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tpt180 -58.2 120.2 8.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 12' ' ' ILE . 8.1 p -94.39 143.96 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 4.7 pt -148.49 175.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -118.98 103.24 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 143.37 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -113.75 114.15 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.682 HG21 ' CD1' ' A' ' 55' ' ' LEU . 77.5 t -121.28 148.75 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -86.1 134.48 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.13 -157.8 14.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG21 HG11 ' A' ' 27' ' ' VAL . 6.0 p -174.23 151.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 3.6 ttt180 -157.78 142.6 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 54.9 t -54.04 125.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 -25.64 8.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -47.42 135.02 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -109.6 139.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 45' ' ' VAL . 20.5 mt -151.37 115.86 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER -84.92 150.52 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.0 114.93 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.88 73.35 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.686 ' C ' HG22 ' A' ' 60' ' ' THR . 1.6 tt0 178.7 144.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.686 HG22 ' C ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER 163.87 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 152.65 44.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.0 141.3 51.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 119.85 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 65' ' ' ARG . . . -155.69 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER 82.33 -54.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.82 52.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.54 164.84 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.37 37.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.202 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -61.47 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 39.61 90.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.497 0.189 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -81.81 -55.43 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -36.8 116.72 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.97 15.65 2.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.66 10.98 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.522 ' C ' ' CG2' ' A' ' 56' ' ' ILE . . . -78.75 81.41 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.718 ' C ' HG23 ' A' ' 56' ' ' ILE . 50.2 m-85 -72.31 112.76 15.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 6' ' ' GLY . 18.2 Cg_endo -75.01 143.93 29.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.711 ' O ' HD13 ' A' ' 54' ' ' ILE . . . -130.35 135.6 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.46 124.97 53.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 53' ' ' ASP . 81.3 t -51.16 133.84 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.1 pt -114.39 -35.53 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -162.83 143.32 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' HA ' HG23 ' A' ' 27' ' ' VAL . 13.7 mt -97.16 140.09 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.0 mt -94.61 -81.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -179.31 -169.46 39.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 30.1 mtm-85 -101.59 169.49 8.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -166.26 45.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.11 53.11 0.71 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.4 m 67.02 -80.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 0.797 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -91.38 -24.35 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.39 45.25 0.1 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.481 1.113 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -89.5 -20.7 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 60.4 t -105.67 148.96 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 18.9 m -141.93 97.22 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -78.14 139.55 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 14' ' ' ILE . 6.3 p -153.15 149.63 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' HG3' ' A' ' 42' ' ' ARG . 14.0 mtmm -94.57 132.39 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.37 140.69 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.636 ' HB2' HG21 ' A' ' 12' ' ' ILE . 26.8 ttp180 -106.84 147.01 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -75.15 100.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -53.48 -39.99 64.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.11 171.61 6.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . 119.14 40.84 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 84.33 -47.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 110.367 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 71.9 m-20 -92.54 30.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.25 88.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . 143.38 -32.04 1.89 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' HB3' ' A' ' 36' ' ' ASP . 27.3 ttm180 -49.87 119.95 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.5 p -106.06 148.38 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 pt -146.97 173.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -109.05 100.67 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.87 127.46 44.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -100.44 126.8 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -135.69 154.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.27 130.16 35.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.581 1.176 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 107.72 -178.08 21.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' C ' ' HG3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -169.29 173.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 49' ' ' VAL . 62.0 mtt180 -155.09 136.1 13.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.1 p -48.76 132.53 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.71 -22.61 23.62 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -45.73 128.37 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 0.0 109.339 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -111.76 112.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.56 137.14 48.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.228 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.718 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.21 145.58 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD13 HG22 ' A' ' 60' ' ' THR . 3.4 pp -140.77 130.11 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -45.82 7.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' THR . 2.3 tt0 -93.23 165.06 12.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.832 HG22 HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 82.18 7.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 7' ' ' TYR . 14.1 pt-20 -92.95 -35.9 13.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 22.0 ttt-85 -94.86 140.89 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -135.03 156.85 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -175.91 -64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.99 -61.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.73 69.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.64 -41.07 85.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 tttt 42.15 59.22 2.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -81.48 143.08 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.31 163.45 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.502 0.191 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -123.12 -44.44 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -36.39 118.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -150.97 20.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.23 9.82 42.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.77 -131.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 m-85 -112.52 93.98 25.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.18 16.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 29' ' ' VAL . . . -127.54 125.98 41.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' ASP . 0.8 OUTLIER -96.39 140.85 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG22 HG12 ' A' ' 29' ' ' VAL . 41.9 t -65.89 126.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HG23 ' A' ' 40' ' ' VAL . 1.8 pp -106.6 -32.5 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -162.59 143.04 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 27' ' ' VAL . 40.7 mt -98.32 124.42 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.812 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.7 mt -77.9 -65.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.32 -137.85 5.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -128.99 152.32 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.779 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -145.83 56.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.84 157.37 15.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -44.08 -53.63 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.3 -18.06 13.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.66 49.15 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -98.6 -34.42 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.19 148.01 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -136.25 109.48 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 136.48 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 14' ' ' ILE . 14.5 t -149.3 155.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' ' 15' ' ' ILE . 17.4 mttt -96.08 135.96 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' HB1' ' A' ' 9' ' ' ALA . 16.6 m -136.27 135.04 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NE ' ' HA2' ' A' ' 38' ' ' GLY . 3.8 ttt180 -98.81 149.75 22.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.05 111.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.39 -43.47 94.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.43 167.88 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.8 -126.33 3.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -40.52 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -91.9 -39.59 11.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 37.53 88.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' ' NE ' ' A' ' 30' ' ' ARG . . . 116.19 37.09 1.05 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.911 HH21 HH22 ' A' ' 62' ' ' ARG . 11.2 ttt85 -117.27 117.81 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 12' ' ' ILE . 4.2 p -78.44 136.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 5.1 pt -140.13 177.48 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.701 ' HD2' HD13 ' A' ' 15' ' ' ILE . 38.8 ttp180 -128.44 103.91 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.82 138.86 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -112.92 120.27 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -144.99 151.58 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -83.76 126.99 33.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.58 160.66 10.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.34 7.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.8 p -167.67 179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -156.43 144.08 19.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 p -47.27 129.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.06 -25.75 9.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -54.94 147.19 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -130.85 138.58 53.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mp -136.81 137.34 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.646 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.99 -135.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER 87.98 140.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 109.252 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 11.8 mtt180 -94.06 -40.61 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 13.6 tm-20 -38.55 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 60' ' ' THR . 7.1 t -80.89 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.87 -26.68 19.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.911 HH22 HH21 ' A' ' 39' ' ' ARG . 0.0 OUTLIER 63.7 114.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.65 67.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.65 135.83 28.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -37.9 82.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 77.0 70.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.212 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pp -99.25 177.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.98 60.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 m -99.82 118.6 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -149.59 133.09 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.509 0.195 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.84 161.18 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.72 111.14 23.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.02 20.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -112.54 99.66 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.0 -137.28 3.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.8 m-85 -116.3 80.86 10.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HG3' HD13 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.06 161.19 38.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 29' ' ' VAL . . . -129.7 148.32 51.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HB2' HD11 ' A' ' 32' ' ' LEU . 37.6 tt0 -113.53 133.03 55.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG22 ' CG1' ' A' ' 29' ' ' VAL . 75.2 t -65.45 125.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -110.2 -32.65 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -162.76 142.95 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.654 HG23 HG12 ' A' ' 27' ' ' VAL . 7.2 mt -93.69 138.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.3 mt -80.64 -65.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 126.59 0.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.6 153.24 42.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -145.95 -73.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.378 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.734 ' H ' HG23 ' A' ' 18' ' ' THR . . . 53.22 169.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.8 p -54.94 -44.51 74.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 0.722 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -120.81 -37.6 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.19 47.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.38 -29.28 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 109.258 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.71 148.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 74.0 m -147.33 96.86 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.66 139.97 35.91 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 110.27 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 14' ' ' ILE . 16.0 m -150.28 157.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HB3' HD11 ' A' ' 12' ' ' ILE . 29.7 mtmt -97.99 131.04 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' HG22 ' A' ' 11' ' ' VAL . 22.0 m -130.28 134.14 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -99.87 145.77 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.08 120.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.896 HD11 HD12 ' A' ' 54' ' ' ILE . 3.9 mt -74.6 -36.52 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 168.83 25.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.24 60.98 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -73.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.257 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -57.18 -49.64 75.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 2.7 ptmt 33.3 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.45 41.83 0.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -117.95 111.62 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 40' ' ' VAL . 3.6 p -83.13 128.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 33.6 pt -134.68 170.84 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.87 99.37 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.17 140.04 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -101.07 118.19 36.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.47 149.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -91.44 129.83 37.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 105.63 176.7 24.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.82 31.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 1.3 t -120.52 161.54 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 48.7 mtt-85 -145.5 129.4 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -41.27 128.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.53 -16.43 26.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.591 ' O ' HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -54.86 128.21 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.372 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.896 HD12 HD11 ' A' ' 32' ' ' LEU . 17.8 mm -115.08 130.44 69.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -134.36 124.67 26.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 8' ' ' PRO . 2.2 mm -73.89 136.39 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.61 HD22 ' HB ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -115.3 154.85 28.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 3.3 mtp180 -78.72 -23.37 45.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 60' ' ' THR . 1.7 mt-10 158.54 -23.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 59' ' ' GLU . 13.5 t 51.26 37.11 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.19 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -38.38 -54.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 15.3 ttp85 83.41 -66.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -74.06 176.42 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 67' ' ' ILE . . . -44.12 122.64 3.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -44.35 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -153.67 -62.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 68' ' ' LYS . 1.1 tp 53.46 173.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.48 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -170.59 49.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -72.51 78.87 1.05 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 141.34 40.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.546 0.212 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.486 ' C ' ' CG ' ' A' ' 3' ' ' GLU . . . -64.66 -71.04 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' C ' ' A' ' 2' ' ' ALA . 1.2 mt-10 77.07 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.61 18.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.64 98.85 10.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.49 -116.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.698 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.2 m-85 -111.4 96.88 33.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 0.811 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.19 28.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' HB3' HH22 ' A' ' 43' ' ' ARG . . . -128.2 133.35 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 32' ' ' LEU . 2.8 tt0 -111.45 131.14 55.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 29' ' ' VAL . 59.3 t -51.89 130.82 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.3 pt -111.34 -31.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -162.48 143.47 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 27' ' ' VAL . 61.5 mt -89.17 130.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.848 HD11 ' HG3' ' A' ' 28' ' ' LYS . 51.4 mt -84.3 -81.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.23 140.73 3.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HB3' HG23 ' A' ' 25' ' ' THR . 7.3 ptt-85 -75.48 152.13 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -125.61 27.95 6.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.89 176.07 22.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -67.85 -61.15 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.7 m -102.19 -26.49 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.73 59.07 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.43 -37.37 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.09 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 17' ' ' ARG . 3.1 m -117.29 105.72 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -91.39 143.03 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 49' ' ' VAL . 24.4 m -148.41 169.31 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HG3' HD11 ' A' ' 15' ' ' ILE . 2.7 mtmt -102.03 134.17 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 11' ' ' VAL . 25.0 m -127.82 144.59 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.544 ' HB2' HG21 ' A' ' 12' ' ' ILE . 19.8 ttp180 -110.59 149.28 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.85 124.73 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 10' ' ' GLU . 31.3 mt -78.1 -28.72 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.8 tt0 -169.15 168.67 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.6 -107.02 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -32.61 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -106.91 -31.59 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 32.91 88.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 36' ' ' ASP . 1.8 ttt85 -61.93 128.59 36.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.763 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.62 135.03 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 pt -138.25 176.51 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.32 115.03 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.538 HH22 ' HB3' ' A' ' 9' ' ' ALA . 1.4 ptp85 -125.0 171.64 10.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -99.93 142.01 31.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -141.75 160.54 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 142.3 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 96.67 179.76 34.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 2.19 6.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 27' ' ' VAL . 40.3 t 60.18 149.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -143.66 128.53 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.84 146.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.66 42.73 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 17.8 t70 -49.39 133.9 19.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.6 mt -111.49 141.77 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.9 122.16 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.698 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.6 mt -90.59 144.51 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -123.7 130.91 53.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.0 mtt180 -56.72 -55.74 30.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 57' ' ' LEU . 7.3 tt0 -151.87 -71.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 t -152.25 -47.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.45 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.17 -62.8 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.96 106.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.5 174.64 9.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.14 171.96 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.6 -1.81 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 73.57 61.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.754 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -88.97 -148.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.378 1.049 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.754 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER 179.78 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.65 163.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.65 167.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.8 -158.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -156.58 136.92 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.44 15.55 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.33 10.42 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.08 -134.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.621 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.4 t80 -133.76 81.06 54.0 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.608 0.828 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.06 159.51 41.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.92 131.36 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -110.22 138.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' CG2' ' A' ' 27' ' ' VAL . 55.6 t -67.48 127.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' A' ' 30' ' ' ARG . 43.4 pt -97.57 -39.42 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.67 143.32 9.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.905 HD12 ' CG1' ' A' ' 49' ' ' VAL . 11.1 mm -78.92 143.98 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -98.31 -74.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.94 165.23 25.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 155.96 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 0.725 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.726 ' O ' HG22 ' A' ' 18' ' ' THR . 1.4 m -154.66 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 20' ' ' THR . . . -157.4 33.57 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 19' ' ' GLY . 1.7 m 64.72 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -82.61 -39.19 22.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.51 44.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -77.53 -38.27 49.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.3 t -130.4 153.5 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -144.9 116.19 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.57 145.94 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' HG13 ' A' ' 11' ' ' VAL . 1.3 p -159.84 141.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -85.95 138.45 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.28 160.99 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' HG21 ' A' ' 12' ' ' ILE . 4.7 ttm180 -125.19 148.16 48.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -71.55 125.44 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -71.12 -39.54 71.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -169.87 168.59 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.44 -136.15 7.7 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.52 16.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' LYS . 16.8 m-20 -86.42 -43.45 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' ASP . 18.8 ttpt 36.64 88.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.67 34.67 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 130.47 56.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.61 137.55 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.369 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 pt -144.92 176.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -114.46 100.74 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HD2' HD11 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -99.18 134.63 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -108.84 117.6 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 46' ' ' ARG . 92.0 t -114.45 167.72 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -92.64 129.41 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -178.94 37.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 142.72 27.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.905 ' CG1' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -113.95 175.39 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.595 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -157.53 142.45 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t -49.93 144.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.08 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.67 -27.97 11.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.09 123.67 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.03 141.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.4 pp -155.35 152.06 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.636 HG22 ' H ' ' A' ' 58' ' ' ARG . 1.7 mt -110.68 147.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 43' ' ' ARG . 10.9 mt -125.75 20.64 7.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.636 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER 69.12 -60.49 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -163.13 169.14 19.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.4 p -52.53 -31.54 36.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.67 -175.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 61.99 -88.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.77 116.01 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.29 56.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.93 -54.18 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.6 tt0 84.3 36.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.754 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER 36.69 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.754 ' N ' HG23 ' A' ' 67' ' ' ILE . 34.6 tttp -175.05 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m 60.54 169.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.07 137.71 16.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.48 0.181 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.18 -166.78 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -124.34 135.51 53.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.89 20.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.49 8.74 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 -138.21 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.3 m-85 -137.43 87.33 18.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.752 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.11 41.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HD12 ' A' ' 32' ' ' LEU . . . -144.17 148.81 35.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -116.9 143.05 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 29' ' ' VAL . 83.5 t -68.18 125.04 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.551 HG22 ' HE ' ' A' ' 30' ' ' ARG . 44.9 pt -100.0 -40.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.62 143.28 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.353 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 1.113 HG23 HG12 ' A' ' 27' ' ' VAL . 3.7 mt -97.17 136.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.456 HD11 ' HG3' ' A' ' 42' ' ' ARG . 9.5 mt -79.82 -66.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.199 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.22 137.27 2.26 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -67.31 154.89 40.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' THR . 6.0 t -146.54 115.65 6.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 68.54 2.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -113.08 -30.42 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.3 m -116.7 -42.37 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.06 58.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.411 1.07 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 47.16 54.57 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -76.84 146.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -125.82 102.11 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -87.37 120.78 29.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.113 HG12 HG23 ' A' ' 14' ' ' ILE . 16.2 m -131.69 152.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 40.8 mttt -100.73 133.47 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 11' ' ' VAL . 30.7 m -133.2 150.14 32.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HE ' HG22 ' A' ' 12' ' ' ILE . 1.2 ptt180 -111.5 150.46 29.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.08 124.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' CA ' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -67.08 -42.64 84.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 168.77 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.23 -108.64 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -31.88 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' LYS . 68.5 m-20 -103.21 -31.72 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ASP . 63.8 tttt 39.14 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.49 -10.41 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -50.59 110.94 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 m -82.45 139.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 19.5 pt -145.36 173.63 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -122.36 101.45 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.59 140.31 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -106.28 113.36 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -119.83 179.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -105.25 136.8 44.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.37 169.42 45.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.47 14.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -148.22 -166.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.62 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -158.01 141.4 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 47.8 t -50.35 117.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 -34.8 2.58 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.72 150.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 32' ' ' LEU . 4.8 mt -134.72 146.32 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.95 144.72 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.6 mt -106.69 153.2 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.745 HD23 HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER -141.76 151.48 42.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.694 ' O ' HG23 ' A' ' 60' ' ' THR . 0.2 OUTLIER -123.0 -66.61 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.71 -47.73 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.745 HG22 HD23 ' A' ' 57' ' ' LEU . 68.7 p 46.33 37.07 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -47.66 169.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.37 136.44 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.66 105.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.07 102.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -52.37 42.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 74.12 68.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 tp -94.62 163.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.29 37.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.93 100.36 12.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.6 173.3 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.266 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.579 0.228 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.11 -98.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -168.45 -140.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.475 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -152.44 20.61 0.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.02 99.65 8.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.3 -83.3 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.634 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.0 m-85 -128.64 92.43 40.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 146.62 32.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.41 124.1 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.978 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.3 tt0 -99.84 126.92 46.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.591 ' HA ' HG12 ' A' ' 29' ' ' VAL . 70.5 t -52.67 131.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.6 pp -113.09 -35.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -162.65 143.29 9.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG23 HG12 ' A' ' 27' ' ' VAL . 32.8 mm -91.85 148.38 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.651 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.2 mp -93.48 -70.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.5 -163.92 36.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 -120.03 152.48 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -144.26 144.84 31.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.73 50.04 0.86 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -103.49 -17.81 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.427 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -120.48 -41.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.78 64.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.85 57.84 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.59 149.84 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -122.93 107.08 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.87 132.85 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 23.2 m -141.2 149.07 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 15' ' ' ILE . 5.4 mttt -102.62 128.04 49.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 11' ' ' VAL . 20.0 m -127.14 145.36 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HB2' HG21 ' A' ' 12' ' ' ILE . 6.5 ttp180 -105.55 147.49 28.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.97 128.28 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.3 mm? -79.91 -34.3 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -164.85 175.03 9.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 111.38 67.66 0.54 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 -76.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -50.48 -57.65 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER 39.72 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.272 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.69 39.35 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.76 118.17 32.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -90.68 115.89 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.143 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 38.9 pt -116.54 164.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -119.51 103.09 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -99.2 146.91 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -115.79 104.17 11.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 46' ' ' ARG . 78.6 t -122.59 164.54 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' N ' HG12 ' A' ' 45' ' ' VAL . 4.0 mmt85 -92.53 135.61 33.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.65 156.48 25.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -172.98 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.4 p -167.65 -166.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' VAL . 81.2 mtt180 -156.05 136.34 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -41.38 143.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.06 -23.72 34.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.599 1.187 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -48.28 140.73 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.85 126.16 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.8 122.83 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.634 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.1 mt -92.91 146.11 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.753 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.97 131.15 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.382 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -61.63 -64.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.26 -175.92 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' ARG . 1.2 m -70.97 -30.02 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.071 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.8 mt-10 64.56 -79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER 82.39 106.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.38 -179.65 4.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 103.63 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -56.44 -53.23 59.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.788 ' C ' HD13 ' A' ' 67' ' ' ILE . 10.5 pt-20 46.37 30.77 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER 41.96 -162.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -172.75 47.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -68.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 66.5 142.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.53 0.205 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -89.22 -88.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -35.25 112.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 15.74 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 9.57 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.32 143.19 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.75 ' C ' HG23 ' A' ' 56' ' ' ILE . 48.9 m-85 -78.82 113.9 39.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.756 . . . . 0.0 111.032 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.0 175.78 10.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.3 141.39 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.692 ' HG3' HD11 ' A' ' 54' ' ' ILE . 1.3 tm-20 -116.28 127.64 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 29' ' ' VAL . 53.2 t -61.4 130.77 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.12 -34.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -162.85 144.01 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.231 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.932 HG23 HG12 ' A' ' 27' ' ' VAL . 2.7 mp -95.39 118.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.674 HD11 ' HG3' ' A' ' 28' ' ' LYS . 71.7 mt -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.39 -178.48 37.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -71.41 144.11 49.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 18' ' ' THR . 24.1 m -139.11 53.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.49 41.42 2.16 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 t -40.77 -46.3 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -112.09 -28.05 8.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.38 -131.29 3.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.76 47.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -74.84 156.92 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 m -130.3 108.69 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -86.69 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.932 HG12 HG23 ' A' ' 14' ' ' ILE . 33.3 m -142.96 153.94 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 15' ' ' ILE . 11.2 mttt -93.72 131.7 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 11' ' ' VAL . 5.5 m -130.58 138.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 12.2 ttm180 -101.29 148.21 25.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 54' ' ' ILE . 1.4 mt -75.46 -34.17 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 2.3 tt0 -168.87 177.69 4.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.81 -105.11 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -33.93 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -102.99 -31.34 10.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 9.4 ptmt 32.95 88.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.96 41.1 0.27 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.8 ttt180 -117.26 118.3 31.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -87.57 121.48 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -127.04 -179.99 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 103.88 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.56 143.23 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -106.59 115.46 30.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.08 147.48 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 145.54 32.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.9 171.02 34.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.3 37.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 2.3 t -126.82 165.02 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.52 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.4 ttm180 -155.86 140.57 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 62.5 t -44.97 134.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.74 -30.47 9.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.18 131.29 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.692 HD11 ' HG3' ' A' ' 10' ' ' GLU . 35.4 mm -115.0 129.09 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 2.4 mp -144.03 -179.62 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.75 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.2 mt -141.85 144.98 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.8 139.09 50.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -72.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.07 162.73 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.7 p -62.08 -18.15 59.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.93 -37.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER 62.81 175.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ARG . 8.4 pt-20 38.15 73.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 65' ' ' ARG . . . -144.13 158.65 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER 77.18 -0.41 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -115.15 33.37 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.423 HG23 ' H ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -40.19 -37.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER 177.92 -34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.38 -62.89 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -161.63 -63.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' C ' HG23 ' A' ' 56' ' ' ILE . 40.4 p90 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.524 0.202 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.51 37.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' ARG . . . -129.3 133.18 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -102.88 134.79 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 HG12 ' A' ' 29' ' ' VAL . 98.2 t -59.51 127.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.34 -37.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -162.86 143.01 9.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 27' ' ' VAL . 15.1 mt -93.18 138.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.843 HD11 ' HG3' ' A' ' 28' ' ' LYS . 6.4 mt -83.91 -62.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.71 -140.5 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -136.15 113.5 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -91.66 133.11 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 49' ' ' VAL . 15.7 m -137.91 152.42 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.843 ' HG3' HD11 ' A' ' 15' ' ' ILE . 26.8 mttp -101.43 131.31 47.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 11' ' ' VAL . 28.4 m -131.51 152.93 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB2' HG12 ' A' ' 40' ' ' VAL . 26.5 ttp180 -116.17 148.23 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -70.92 130.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 10' ' ' GLU . 37.6 mt -85.5 -30.19 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -168.89 167.51 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 117.06 66.8 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.5 -75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 29.5 m-20 -50.6 -58.36 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.8 tttt 39.01 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.08 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -117.18 114.82 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 30' ' ' ARG . 5.2 m -92.68 129.96 42.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -135.0 175.85 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.32 103.63 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -99.35 140.66 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CB ' ' HG2' ' A' ' 26' ' ' GLN . 12.2 p-10 -108.54 127.3 53.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 46' ' ' ARG . 71.4 t -146.84 166.02 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.513 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.5 mmm-85 -90.18 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.54 166.14 24.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 27' ' ' VAL . 9.9 p -171.05 171.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' H ' HG22 ' A' ' 49' ' ' VAL . 55.7 mtt180 -147.89 129.24 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -40.3 122.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.36 -31.47 4.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.67 150.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG1' ' HG3' ' A' ' 10' ' ' GLU . 59.0 mt -136.05 139.79 45.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.32 138.14 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.61 ' C ' HG23 ' A' ' 56' ' ' ILE . 11.5 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.494 0.188 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.19 30.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . -119.2 124.21 46.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 1.001 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.87 125.86 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -55.68 120.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.1 pt -91.65 -35.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 30.2 tt0 -162.96 142.96 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.843 HG23 HG12 ' A' ' 27' ' ' VAL . 19.9 mt -88.72 128.45 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -80.41 -77.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.89 144.98 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.282 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 25' ' ' THR . 58.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.429 HG21 ' HB ' ' A' ' 49' ' ' VAL . 1.3 m -144.16 105.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 27' ' ' VAL . 17.4 mt-30 -88.52 142.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.222 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.843 HG12 HG23 ' A' ' 14' ' ' ILE . 27.2 m -157.5 156.34 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 5.4 mttm -95.29 128.52 42.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG12 HG22 ' A' ' 11' ' ' VAL . 8.4 m -121.7 151.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.566 ' HB2' HG21 ' A' ' 12' ' ' ILE . 1.9 ttt180 -115.27 148.38 39.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 39' ' ' ARG . 12.6 mt -73.26 124.75 30.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.001 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.4 mm? -73.23 -38.43 66.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.21 167.19 16.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.205 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.17 64.85 0.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 -76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.91 -55.84 20.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt 41.31 89.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.22 -13.09 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.1 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tpt180 -58.2 120.2 8.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 12' ' ' ILE . 8.1 p -94.39 143.96 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 4.7 pt -148.49 175.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -118.98 103.24 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 143.37 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -113.75 114.15 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.682 HG21 ' CD1' ' A' ' 55' ' ' LEU . 77.5 t -121.28 148.75 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -86.1 134.48 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.13 -157.8 14.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.672 HG21 HG11 ' A' ' 27' ' ' VAL . 6.0 p -174.23 151.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 3.6 ttt180 -157.78 142.6 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 54.9 t -54.04 125.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 -25.64 8.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -47.42 135.02 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -109.6 139.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 45' ' ' VAL . 20.5 mt -151.37 115.86 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.718 ' C ' HG23 ' A' ' 56' ' ' ILE . 50.2 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.544 0.211 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 143.93 29.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.711 ' O ' HD13 ' A' ' 54' ' ' ILE . . . -130.35 135.6 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.46 124.97 53.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 53' ' ' ASP . 81.3 t -51.16 133.84 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.1 pt -114.39 -35.53 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -162.83 143.32 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.446 ' HA ' HG23 ' A' ' 27' ' ' VAL . 13.7 mt -97.16 140.09 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.0 mt -94.61 -81.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -179.31 -169.46 39.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 30.1 mtm-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 60.4 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 18.9 m -141.93 97.22 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -78.14 139.55 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 14' ' ' ILE . 6.3 p -153.15 149.63 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' HG3' ' A' ' 42' ' ' ARG . 14.0 mtmm -94.57 132.39 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.37 140.69 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.636 ' HB2' HG21 ' A' ' 12' ' ' ILE . 26.8 ttp180 -106.84 147.01 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -75.15 100.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -53.48 -39.99 64.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.11 171.61 6.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . 119.14 40.84 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 84.33 -47.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 110.367 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 71.9 m-20 -92.54 30.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.25 88.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . 143.38 -32.04 1.89 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' HB3' ' A' ' 36' ' ' ASP . 27.3 ttm180 -49.87 119.95 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.5 p -106.06 148.38 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 pt -146.97 173.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -109.05 100.67 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.87 127.46 44.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -100.44 126.8 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -135.69 154.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.27 130.16 35.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.581 1.176 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 107.72 -178.08 21.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' C ' ' HG3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -169.29 173.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 49' ' ' VAL . 62.0 mtt180 -155.09 136.1 13.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.1 p -48.76 132.53 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.71 -22.61 23.62 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -45.73 128.37 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 0.0 109.339 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -111.76 112.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.56 137.14 48.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.228 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.718 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.49 0.186 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.18 16.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 29' ' ' VAL . . . -127.54 125.98 41.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' ASP . 0.8 OUTLIER -96.39 140.85 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.451 HG22 HG12 ' A' ' 29' ' ' VAL . 41.9 t -65.89 126.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HG23 ' A' ' 40' ' ' VAL . 1.8 pp -106.6 -32.5 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -162.59 143.04 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 27' ' ' VAL . 40.7 mt -98.32 124.42 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.812 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.7 mt -77.9 -65.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.32 -137.85 5.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.779 . . . . 0.0 110.293 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -136.25 109.48 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 136.48 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 14' ' ' ILE . 14.5 t -149.3 155.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' ' 15' ' ' ILE . 17.4 mttt -96.08 135.96 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' HB1' ' A' ' 9' ' ' ALA . 16.6 m -136.27 135.04 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NE ' ' HA2' ' A' ' 38' ' ' GLY . 3.8 ttt180 -98.81 149.75 22.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.05 111.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.39 -43.47 94.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.43 167.88 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.8 -126.33 3.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -40.52 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -91.9 -39.59 11.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 37.53 88.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' ' NE ' ' A' ' 30' ' ' ARG . . . 116.19 37.09 1.05 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 ttt85 -117.27 117.81 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 110.331 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 12' ' ' ILE . 4.2 p -78.44 136.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 5.1 pt -140.13 177.48 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.701 ' HD2' HD13 ' A' ' 15' ' ' ILE . 38.8 ttp180 -128.44 103.91 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.82 138.86 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -112.92 120.27 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -144.99 151.58 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -83.76 126.99 33.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.58 160.66 10.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.34 7.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.8 p -167.67 179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -156.43 144.08 19.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 p -47.27 129.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.06 -25.75 9.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -54.94 147.19 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -130.85 138.58 53.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mp -136.81 137.34 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.459 0.171 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HG3' HD13 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.06 161.19 38.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 29' ' ' VAL . . . -129.7 148.32 51.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HB2' HD11 ' A' ' 32' ' ' LEU . 37.6 tt0 -113.53 133.03 55.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.483 HG22 ' CG1' ' A' ' 29' ' ' VAL . 75.2 t -65.45 125.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -110.2 -32.65 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -162.76 142.95 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.654 HG23 HG12 ' A' ' 27' ' ' VAL . 7.2 mt -93.69 138.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.3 mt -80.64 -65.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 126.59 0.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 74.0 m -147.33 96.86 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.66 139.97 35.91 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 110.27 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 14' ' ' ILE . 16.0 m -150.28 157.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HB3' HD11 ' A' ' 12' ' ' ILE . 29.7 mtmt -97.99 131.04 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' HG22 ' A' ' 11' ' ' VAL . 22.0 m -130.28 134.14 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -99.87 145.77 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.08 120.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.896 HD11 HD12 ' A' ' 54' ' ' ILE . 3.9 mt -74.6 -36.52 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 168.83 25.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.24 60.98 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -73.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.257 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -57.18 -49.64 75.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 2.7 ptmt 33.3 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.45 41.83 0.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -117.95 111.62 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 40' ' ' VAL . 3.6 p -83.13 128.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 33.6 pt -134.68 170.84 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.87 99.37 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.17 140.04 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -101.07 118.19 36.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.47 149.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -91.44 129.83 37.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 105.63 176.7 24.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.82 31.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 1.3 t -120.52 161.54 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 48.7 mtt-85 -145.5 129.4 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -41.27 128.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.53 -16.43 26.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.591 ' O ' HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -54.86 128.21 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.372 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.896 HD12 HD11 ' A' ' 32' ' ' LEU . 17.8 mm -115.08 130.44 69.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -134.36 124.67 26.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 8' ' ' PRO . 2.2 mm . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.698 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.2 m-85 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.521 0.201 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.19 28.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.538 ' HB3' HH22 ' A' ' 43' ' ' ARG . . . -128.2 133.35 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 32' ' ' LEU . 2.8 tt0 -111.45 131.14 55.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 29' ' ' VAL . 59.3 t -51.89 130.82 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.3 pt -111.34 -31.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -162.48 143.47 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 27' ' ' VAL . 61.5 mt -89.17 130.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.848 HD11 ' HG3' ' A' ' 28' ' ' LYS . 51.4 mt -84.3 -81.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.23 140.73 3.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HB3' HG23 ' A' ' 25' ' ' THR . 7.3 ptt-85 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 17' ' ' ARG . 3.1 m -117.29 105.72 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -91.39 143.03 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 49' ' ' VAL . 24.4 m -148.41 169.31 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HG3' HD11 ' A' ' 15' ' ' ILE . 2.7 mtmt -102.03 134.17 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 11' ' ' VAL . 25.0 m -127.82 144.59 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.544 ' HB2' HG21 ' A' ' 12' ' ' ILE . 19.8 ttp180 -110.59 149.28 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.85 124.73 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 10' ' ' GLU . 31.3 mt -78.1 -28.72 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.8 tt0 -169.15 168.67 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.6 -107.02 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -32.61 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -106.91 -31.59 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 32.91 88.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 36' ' ' ASP . 1.8 ttt85 -61.93 128.59 36.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.763 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.62 135.03 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 pt -138.25 176.51 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.32 115.03 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.538 HH22 ' HB3' ' A' ' 9' ' ' ALA . 1.4 ptp85 -125.0 171.64 10.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -99.93 142.01 31.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -141.75 160.54 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 142.3 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 96.67 179.76 34.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 2.19 6.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 27' ' ' VAL . 40.3 t 60.18 149.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -143.66 128.53 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.84 146.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.66 42.73 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 17.8 t70 -49.39 133.9 19.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.6 mt -111.49 141.77 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.9 122.16 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.698 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.6 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.621 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.4 t80 . . . . . 0 N--CA 1.454 -0.234 0 CA-C-O 120.51 0.195 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.06 159.51 41.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.92 131.36 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -110.22 138.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' CG2' ' A' ' 27' ' ' VAL . 55.6 t -67.48 127.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' A' ' 30' ' ' ARG . 43.4 pt -97.57 -39.42 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.67 143.32 9.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.905 HD12 ' CG1' ' A' ' 49' ' ' VAL . 11.1 mm -78.92 143.98 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -98.31 -74.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.94 165.23 25.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.433 0.725 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -144.9 116.19 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.57 145.94 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' HG13 ' A' ' 11' ' ' VAL . 1.3 p -159.84 141.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -85.95 138.45 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.28 160.99 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' HG21 ' A' ' 12' ' ' ILE . 4.7 ttm180 -125.19 148.16 48.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -71.55 125.44 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -71.12 -39.54 71.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -169.87 168.59 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.44 -136.15 7.7 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.52 16.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' LYS . 16.8 m-20 -86.42 -43.45 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' ASP . 18.8 ttpt 36.64 88.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.67 34.67 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 130.47 56.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.61 137.55 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.369 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 pt -144.92 176.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -114.46 100.74 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.18 134.63 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -108.84 117.6 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 46' ' ' ARG . 92.0 t -114.45 167.72 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -92.64 129.41 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -178.94 37.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 142.72 27.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.905 ' CG1' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -113.95 175.39 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.595 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -157.53 142.45 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t -49.93 144.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.08 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.67 -27.97 11.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.09 123.67 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.03 141.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.4 pp -155.35 152.06 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.621 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.7 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.3 m-85 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.492 0.187 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.11 41.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HD12 ' A' ' 32' ' ' LEU . . . -144.17 148.81 35.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -116.9 143.05 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 29' ' ' VAL . 83.5 t -68.18 125.04 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.551 HG22 ' HE ' ' A' ' 30' ' ' ARG . 44.9 pt -100.0 -40.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.62 143.28 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.353 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 1.113 HG23 HG12 ' A' ' 27' ' ' VAL . 3.7 mt -97.17 136.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.456 HD11 ' HG3' ' A' ' 42' ' ' ARG . 9.5 mt -79.82 -66.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.199 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.22 137.27 2.26 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -125.82 102.11 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -87.37 120.78 29.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.113 HG12 HG23 ' A' ' 14' ' ' ILE . 16.2 m -131.69 152.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 40.8 mttt -100.73 133.47 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 11' ' ' VAL . 30.7 m -133.2 150.14 32.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HE ' HG22 ' A' ' 12' ' ' ILE . 1.2 ptt180 -111.5 150.46 29.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.08 124.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' CA ' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -67.08 -42.64 84.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 168.77 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.23 -108.64 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -31.88 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' LYS . 68.5 m-20 -103.21 -31.72 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ASP . 63.8 tttt 39.14 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.49 -10.41 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -50.59 110.94 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 m -82.45 139.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 19.5 pt -145.36 173.63 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -122.36 101.45 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.59 140.31 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -106.28 113.36 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -119.83 179.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -105.25 136.8 44.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.37 169.42 45.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.47 14.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -148.22 -166.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.62 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -158.01 141.4 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 47.8 t -50.35 117.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 -34.8 2.58 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.72 150.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 32' ' ' LEU . 4.8 mt -134.72 146.32 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.95 144.72 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.6 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.634 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.0 m-85 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.465 0.174 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 146.62 32.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.41 124.1 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.978 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.3 tt0 -99.84 126.92 46.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.591 ' HA ' HG12 ' A' ' 29' ' ' VAL . 70.5 t -52.67 131.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.6 pp -113.09 -35.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -162.65 143.29 9.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG23 HG12 ' A' ' 27' ' ' VAL . 32.8 mm -91.85 148.38 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.651 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.2 mp -93.48 -70.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.5 -163.92 36.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.272 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -122.93 107.08 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.87 132.85 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 23.2 m -141.2 149.07 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 15' ' ' ILE . 5.4 mttt -102.62 128.04 49.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 11' ' ' VAL . 20.0 m -127.14 145.36 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HB2' HG21 ' A' ' 12' ' ' ILE . 6.5 ttp180 -105.55 147.49 28.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.97 128.28 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.3 mm? -79.91 -34.3 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -164.85 175.03 9.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 111.38 67.66 0.54 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 -76.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -50.48 -57.65 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER 39.72 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.272 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.69 39.35 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.76 118.17 32.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -90.68 115.89 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.143 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 38.9 pt -116.54 164.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -119.51 103.09 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -99.2 146.91 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -115.79 104.17 11.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 46' ' ' ARG . 78.6 t -122.59 164.54 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.487 ' N ' HG12 ' A' ' 45' ' ' VAL . 4.0 mmt85 -92.53 135.61 33.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.65 156.48 25.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -172.98 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.4 p -167.65 -166.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' VAL . 81.2 mtt180 -156.05 136.34 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -41.38 143.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.06 -23.72 34.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.599 1.187 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -48.28 140.73 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.85 126.16 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.8 122.83 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.634 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.1 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.75 ' C ' HG23 ' A' ' 56' ' ' ILE . 48.9 m-85 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.453 0.168 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.0 175.78 10.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.3 141.39 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.692 ' HG3' HD11 ' A' ' 54' ' ' ILE . 1.3 tm-20 -116.28 127.64 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 29' ' ' VAL . 53.2 t -61.4 130.77 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.12 -34.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -162.85 144.01 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.231 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.932 HG23 HG12 ' A' ' 27' ' ' VAL . 2.7 mp -95.39 118.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.674 HD11 ' HG3' ' A' ' 28' ' ' LYS . 71.7 mt -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.39 -178.48 37.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 m -130.3 108.69 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -86.69 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.932 HG12 HG23 ' A' ' 14' ' ' ILE . 33.3 m -142.96 153.94 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 15' ' ' ILE . 11.2 mttt -93.72 131.7 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 11' ' ' VAL . 5.5 m -130.58 138.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 12.2 ttm180 -101.29 148.21 25.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 54' ' ' ILE . 1.4 mt -75.46 -34.17 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 2.3 tt0 -168.87 177.69 4.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.81 -105.11 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -33.93 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -102.99 -31.34 10.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 9.4 ptmt 32.95 88.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.96 41.1 0.27 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.8 ttt180 -117.26 118.3 31.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -87.57 121.48 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -127.04 -179.99 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 103.88 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.56 143.23 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -106.59 115.46 30.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.08 147.48 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 145.54 32.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.9 171.02 34.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.3 37.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 2.3 t -126.82 165.02 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.4 ttm180 -155.86 140.57 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 62.5 t -44.97 134.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.74 -30.47 9.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.18 131.29 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.692 HD11 ' HG3' ' A' ' 10' ' ' GLU . 35.4 mm -115.0 129.09 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 2.4 mp -144.03 -179.62 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.75 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.2 mt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.643 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 41.7 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.514 0.197 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 80.69 -56.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -36.65 116.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.24 20.53 0.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.51 10.13 13.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.97 125.13 1.21 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' C ' HG23 ' A' ' 56' ' ' ILE . 40.4 p90 -101.44 116.85 63.1 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.51 37.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' ARG . . . -129.3 133.18 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -102.88 134.79 45.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.71 HG22 HG12 ' A' ' 29' ' ' VAL . 98.2 t -59.51 127.62 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -101.34 -37.83 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -162.86 143.01 9.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.366 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.954 HG23 HG12 ' A' ' 27' ' ' VAL . 15.1 mt -93.18 138.57 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.843 HD11 ' HG3' ' A' ' 28' ' ' LYS . 6.4 mt -83.91 -62.76 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.71 -140.5 6.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.7 171.75 7.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.7 m -135.26 -46.56 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' THR . . . 54.96 -145.75 29.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m 63.73 -75.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.3 m -60.37 -38.64 84.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.87 76.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 43.94 51.97 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 HG21 ' HB ' ' A' ' 21' ' ' THR . 71.8 t -76.15 157.94 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 m -136.15 113.5 10.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.389 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG2' ' CB ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -91.66 133.11 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 49' ' ' VAL . 15.7 m -137.91 152.42 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.843 ' HG3' HD11 ' A' ' 15' ' ' ILE . 26.8 mttp -101.43 131.31 47.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.71 HG12 HG22 ' A' ' 11' ' ' VAL . 28.4 m -131.51 152.93 38.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' HB2' HG12 ' A' ' 40' ' ' VAL . 26.5 ttp180 -116.17 148.23 40.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mt -70.92 130.05 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 10' ' ' GLU . 37.6 mt -85.5 -30.19 23.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -168.89 167.51 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 117.06 66.8 0.37 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.5 -75.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 29.5 m-20 -50.6 -58.36 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' ASP . 27.8 tttt 39.01 89.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.47 39.08 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -117.18 114.82 24.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 30' ' ' ARG . 5.2 m -92.68 129.96 42.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -135.0 175.85 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.32 103.63 8.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' NH2' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -99.35 140.66 33.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' CB ' ' HG2' ' A' ' 26' ' ' GLN . 12.2 p-10 -108.54 127.3 53.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG12 ' N ' ' A' ' 46' ' ' ARG . 71.4 t -146.84 166.02 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.513 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.5 mmm-85 -90.18 135.1 33.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.54 166.14 24.5 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.45 1.763 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.001 HG11 HG11 ' A' ' 27' ' ' VAL . 9.9 p -171.05 171.72 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' H ' HG22 ' A' ' 49' ' ' VAL . 55.7 mtt180 -147.89 129.24 14.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.2 t -40.3 122.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.36 -31.47 4.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -43.67 150.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG1' ' HG3' ' A' ' 10' ' ' GLU . 59.0 mt -136.05 139.79 45.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.32 138.14 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.611 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -87.34 146.9 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 7' ' ' TYR . 3.1 mm? -112.94 87.42 2.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -22.34 65.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 60' ' ' THR . 2.0 tt0 -150.84 -47.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER 79.96 -3.07 2.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 47.84 -175.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.9 ttm180 -150.19 -59.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 65.14 79.31 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.11 58.46 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -54.5 -60.39 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 61.27 65.24 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.7 tp -41.25 113.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -34.85 75.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -38.68 -60.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 41.27 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.503 0.192 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.45 -143.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.92 112.5 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.34 19.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.93 99.29 9.05 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.36 122.31 0.63 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.61 ' C ' HG23 ' A' ' 56' ' ' ILE . 11.5 m-85 -85.87 113.53 52.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.19 30.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . -119.2 124.21 46.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 1.001 ' HB2' HD21 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -102.87 125.86 49.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG22 HG12 ' A' ' 29' ' ' VAL . 73.4 t -55.68 120.29 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.1 pt -91.65 -35.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 12' ' ' ILE . 30.2 tt0 -162.96 142.96 9.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.843 HG23 HG12 ' A' ' 27' ' ' VAL . 19.9 mt -88.72 128.45 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.3 mt -80.41 -77.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.89 144.98 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -91.26 148.02 22.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 19' ' ' GLY . 10.1 t -139.11 -161.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' THR . . . -146.18 -119.27 1.19 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' THR . 1.1 m 64.25 -76.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 110.376 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.473 ' N ' HG22 ' A' ' 20' ' ' THR . 0.9 OUTLIER -60.95 -38.13 84.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.21 70.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 48.79 58.26 5.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' A' ' 21' ' ' THR . 58.8 t -75.79 159.9 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.429 HG21 ' HB ' ' A' ' 49' ' ' VAL . 1.3 m -144.16 105.55 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.389 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 27' ' ' VAL . 17.4 mt-30 -88.52 142.57 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.222 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.843 HG12 HG23 ' A' ' 14' ' ' ILE . 27.2 m -157.5 156.34 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 5.4 mttm -95.29 128.52 42.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG12 HG22 ' A' ' 11' ' ' VAL . 8.4 m -121.7 151.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.358 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.566 ' HB2' HG21 ' A' ' 12' ' ' ILE . 1.9 ttt180 -115.27 148.38 39.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 39' ' ' ARG . 12.6 mt -73.26 124.75 30.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.001 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.4 mm? -73.23 -38.43 66.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -166.21 167.19 16.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.627 1.205 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.17 64.85 0.27 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.517 1.136 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 -76.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 0.778 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -52.91 -55.84 20.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt 41.31 89.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.22 -13.09 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.1 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tpt180 -58.2 120.2 8.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG21 HD11 ' A' ' 12' ' ' ILE . 8.1 p -94.39 143.96 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 4.7 pt -148.49 175.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -118.98 103.24 9.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.42 143.37 29.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -113.75 114.15 25.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.682 HG21 ' CD1' ' A' ' 55' ' ' LEU . 77.5 t -121.28 148.75 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -86.1 134.48 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.13 -157.8 14.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG21 HG11 ' A' ' 27' ' ' VAL . 6.0 p -174.23 151.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.168 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 51' ' ' VAL . 3.6 ttt180 -157.78 142.6 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 54.9 t -54.04 125.41 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 118.26 -25.64 8.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -47.42 135.02 11.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -109.6 139.4 32.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.682 ' CD1' HG21 ' A' ' 45' ' ' VAL . 20.5 mt -151.37 115.86 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.231 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' C ' ' A' ' 7' ' ' TYR . 0.9 OUTLIER -84.92 150.52 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.395 1.059 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.0 114.93 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.88 73.35 2.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.327 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.686 ' C ' HG22 ' A' ' 60' ' ' THR . 1.6 tt0 178.7 144.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.686 HG22 ' C ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER 163.87 -34.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.21 152.65 44.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.0 141.3 51.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 119.85 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 65' ' ' ARG . . . -155.69 -70.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER 82.33 -54.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.82 52.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.54 164.84 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.37 37.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.202 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.82 -61.47 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 39.61 90.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 110.258 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 0.0 110.274 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.497 0.189 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -81.81 -55.43 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -36.8 116.72 0.45 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 110.253 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.97 15.65 2.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.66 10.98 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.522 ' C ' ' CG2' ' A' ' 56' ' ' ILE . . . -78.75 81.41 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.718 ' C ' HG23 ' A' ' 56' ' ' ILE . 50.2 m-85 -72.31 112.76 15.96 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.522 0.778 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 6' ' ' GLY . 18.2 Cg_endo -75.01 143.93 29.59 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.711 ' O ' HD13 ' A' ' 54' ' ' ILE . . . -130.35 135.6 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -114.46 124.97 53.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 53' ' ' ASP . 81.3 t -51.16 133.84 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.1 pt -114.39 -35.53 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -162.83 143.32 9.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.446 ' HA ' HG23 ' A' ' 27' ' ' VAL . 13.7 mt -97.16 140.09 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.0 mt -94.61 -81.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLN . . . -179.31 -169.46 39.81 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 30.1 mtm-85 -101.59 169.49 8.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -166.26 45.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -121.11 53.11 0.71 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.4 m 67.02 -80.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 0.797 . . . . 0.0 110.432 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -91.38 -24.35 19.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.39 45.25 0.1 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.481 1.113 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -89.5 -20.7 23.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 17' ' ' ARG . 60.4 t -105.67 148.96 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 18.9 m -141.93 97.22 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -78.14 139.55 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 14' ' ' ILE . 6.3 p -153.15 149.63 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' CG ' ' HG3' ' A' ' 42' ' ' ARG . 14.0 mtmm -94.57 132.39 39.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 m -122.37 140.69 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.636 ' HB2' HG21 ' A' ' 12' ' ' ILE . 26.8 ttp180 -106.84 147.01 30.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -75.15 100.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.979 HD12 HD11 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -53.48 -39.99 64.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.11 171.61 6.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . 119.14 40.84 0.61 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 84.33 -47.52 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 0.776 . . . . 0.0 110.367 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 38' ' ' GLY . 71.9 m-20 -92.54 30.51 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -51.25 88.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 36' ' ' ASP . . . 143.38 -32.04 1.89 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' CB ' ' HB3' ' A' ' 36' ' ' ASP . 27.3 ttm180 -49.87 119.95 3.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 0.744 . . . . 0.0 110.371 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG21 ' CD1' ' A' ' 12' ' ' ILE . 8.5 p -106.06 148.38 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.9 pt -146.97 173.66 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.448 ' HG3' ' CG ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -109.05 100.67 9.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.87 127.46 44.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -100.44 126.8 46.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.8 t -135.69 154.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 109.349 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.27 130.16 35.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.581 1.176 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 107.72 -178.08 21.48 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.554 1.159 . . . . 0.0 110.962 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' C ' ' HG3' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -169.29 173.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 49' ' ' VAL . 62.0 mtt180 -155.09 136.1 13.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.258 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.1 p -48.76 132.53 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.71 -22.61 23.62 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -45.73 128.37 8.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 0.0 109.339 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.979 HD11 HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -111.76 112.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 109.271 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.56 137.14 48.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.228 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.718 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -95.21 145.58 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.832 HD13 HG22 ' A' ' 60' ' ' THR . 3.4 pp -140.77 130.11 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.65 -45.82 7.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 60' ' ' THR . 2.3 tt0 -93.23 165.06 12.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.832 HG22 HD13 ' A' ' 57' ' ' LEU . 0.5 OUTLIER 82.18 7.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.35 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' OE1' ' CE2' ' A' ' 7' ' ' TYR . 14.1 pt-20 -92.95 -35.9 13.06 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 22.0 ttt-85 -94.86 140.89 29.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -135.03 156.85 48.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -175.91 -64.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.99 -61.68 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.73 69.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 23.8 pt -67.64 -41.07 85.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.4 tttt 42.15 59.22 2.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 m -81.48 143.08 32.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -165.31 163.45 19.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.292 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.502 0.191 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -123.12 -44.44 2.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -36.39 118.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.493 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -150.97 20.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.23 9.82 42.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.77 -131.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 58' ' ' ARG . 9.6 m-85 -112.52 93.98 25.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 133.18 16.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' HB1' HG23 ' A' ' 29' ' ' VAL . . . -127.54 125.98 41.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 53' ' ' ASP . 0.8 OUTLIER -96.39 140.85 30.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.451 HG22 HG12 ' A' ' 29' ' ' VAL . 41.9 t -65.89 126.8 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.226 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG12 HG23 ' A' ' 40' ' ' VAL . 1.8 pp -106.6 -32.5 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -162.59 143.04 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.903 HG23 HG22 ' A' ' 27' ' ' VAL . 40.7 mt -98.32 124.42 51.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.812 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.7 mt -77.9 -65.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 163.32 -137.85 5.0 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -128.99 152.32 48.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.779 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -145.83 56.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -120.84 157.37 15.93 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -44.08 -53.63 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.3 -18.06 13.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.342 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.66 49.15 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -98.6 -34.42 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.1 t -82.19 148.01 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -136.25 109.48 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 136.48 33.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.903 HG22 HG23 ' A' ' 14' ' ' ILE . 14.5 t -149.3 155.69 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' ' 15' ' ' ILE . 17.4 mttt -96.08 135.96 37.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' HB1' ' A' ' 9' ' ' ALA . 16.6 m -136.27 135.04 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' NE ' ' HA2' ' A' ' 38' ' ' GLY . 3.8 ttt180 -98.81 149.75 22.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.399 1.062 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -75.05 111.18 10.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.39 -43.47 94.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.43 167.88 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.8 -126.33 3.23 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.459 1.099 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.81 -40.52 9.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.749 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -91.9 -39.59 11.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER 37.53 88.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' ' NE ' ' A' ' 30' ' ' ARG . . . 116.19 37.09 1.05 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.911 HH21 HH22 ' A' ' 62' ' ' ARG . 11.2 ttt85 -117.27 117.81 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 0.799 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 12' ' ' ILE . 4.2 p -78.44 136.81 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 5.1 pt -140.13 177.48 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.701 ' HD2' HD13 ' A' ' 15' ' ' ILE . 38.8 ttp180 -128.44 103.91 7.4 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.475 1.11 . . . . 0.0 110.337 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.82 138.86 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -112.92 120.27 40.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -144.99 151.58 15.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -83.76 126.99 33.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.58 160.66 10.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 178.34 7.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.613 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.8 p -167.67 179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -156.43 144.08 19.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.9 p -47.27 129.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 109.233 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.06 -25.75 9.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -54.94 147.19 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 81.0 mt -130.85 138.58 53.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.3 mp -136.81 137.34 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.646 ' O ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -96.99 -135.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER 87.98 140.63 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.382 1.051 . . . . 0.0 109.252 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 11.8 mtt180 -94.06 -40.61 9.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 57' ' ' LEU . 13.6 tm-20 -38.55 -29.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 60' ' ' THR . 7.1 t -80.89 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.083 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.87 -26.68 19.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.911 HH22 HH21 ' A' ' 39' ' ' ARG . 0.0 OUTLIER 63.7 114.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 110.269 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.65 67.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.65 135.83 28.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -37.9 82.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 77.0 70.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.212 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 pp -99.25 177.19 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.98 60.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.8 m -99.82 118.6 36.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -149.59 133.09 16.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.509 0.195 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.84 161.18 20.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 1.181 . . . . 0.0 109.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.72 111.14 23.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.02 20.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -112.54 99.66 8.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.0 -137.28 3.56 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.8 m-85 -116.3 80.86 10.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' HG3' HD13 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.06 161.19 38.99 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.476 1.777 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 29' ' ' VAL . . . -129.7 148.32 51.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.578 ' HB2' HD11 ' A' ' 32' ' ' LEU . 37.6 tt0 -113.53 133.03 55.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.483 HG22 ' CG1' ' A' ' 29' ' ' VAL . 75.2 t -65.45 125.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.779 HD11 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -110.2 -32.65 2.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -162.76 142.95 9.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.654 HG23 HG12 ' A' ' 27' ' ' VAL . 7.2 mt -93.69 138.25 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.3 mt -80.64 -65.11 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 159.47 126.59 0.86 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.6 153.24 42.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.734 HG23 ' H ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -145.95 -73.97 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 110.378 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.734 ' H ' HG23 ' A' ' 18' ' ' THR . . . 53.22 169.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.507 1.129 . . . . 0.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.8 p -54.94 -44.51 74.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 0.722 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -120.81 -37.6 2.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.374 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.19 47.99 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -112.38 -29.28 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.774 . . . . 0.0 109.258 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 73.2 t -77.71 148.59 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 74.0 m -147.33 96.86 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -80.66 139.97 35.91 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.426 1.079 . . . . 0.0 110.27 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.654 HG12 HG23 ' A' ' 14' ' ' ILE . 16.0 m -150.28 157.46 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.779 ' HB3' HD11 ' A' ' 12' ' ' ILE . 29.7 mtmt -97.99 131.04 44.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' HG22 ' A' ' 11' ' ' VAL . 22.0 m -130.28 134.14 62.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -99.87 145.77 27.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.08 120.37 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.896 HD11 HD12 ' A' ' 54' ' ' ILE . 3.9 mt -74.6 -36.52 62.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.539 1.149 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.65 168.83 25.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.072 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.24 60.98 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.19 -73.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 110.257 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -57.18 -49.64 75.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 2.7 ptmt 33.3 88.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.45 41.83 0.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -117.95 111.62 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 0.802 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 40' ' ' VAL . 3.6 p -83.13 128.17 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 33.6 pt -134.68 170.84 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.87 99.37 8.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -99.17 140.04 33.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -101.07 118.19 36.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.258 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.47 149.86 32.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -91.44 129.83 37.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 105.63 176.7 24.01 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.82 31.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 1.3 t -120.52 161.54 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 48.7 mtt-85 -145.5 129.4 17.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.9 t -41.27 128.19 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.297 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.53 -16.43 26.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.591 ' O ' HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -54.86 128.21 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.372 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.896 HD12 HD11 ' A' ' 32' ' ' LEU . 17.8 mm -115.08 130.44 69.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -134.36 124.67 26.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.576 HD13 ' HG3' ' A' ' 8' ' ' PRO . 2.2 mm -73.89 136.39 25.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.61 HD22 ' HB ' ' A' ' 60' ' ' THR . 0.3 OUTLIER -115.3 154.85 28.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.534 ' O ' ' CB ' ' A' ' 59' ' ' GLU . 3.3 mtp180 -78.72 -23.37 45.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 60' ' ' THR . 1.7 mt-10 158.54 -23.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 59' ' ' GLU . 13.5 t 51.26 37.11 17.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.605 1.19 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -38.38 -54.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 15.3 ttp85 83.41 -66.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.236 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -74.06 176.42 6.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 67' ' ' ILE . . . -44.12 122.64 3.0 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -44.35 35.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -153.67 -62.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 68' ' ' LYS . 1.1 tp 53.46 173.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.48 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -170.59 49.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 t -72.51 78.87 1.05 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.28 141.34 40.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.546 0.212 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.486 ' C ' ' CG ' ' A' ' 3' ' ' GLU . . . -64.66 -71.04 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' C ' ' A' ' 2' ' ' ALA . 1.2 mt-10 77.07 124.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.61 18.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.64 98.85 10.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.11 . . . . 0.0 110.323 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.49 -116.45 0.01 OUTLIER Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.698 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.2 m-85 -111.4 96.88 33.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.578 0.811 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 143.19 28.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.538 ' HB3' HH22 ' A' ' 43' ' ' ARG . . . -128.2 133.35 48.86 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 32' ' ' LEU . 2.8 tt0 -111.45 131.14 55.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' A' ' 29' ' ' VAL . 59.3 t -51.89 130.82 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.585 1.178 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG21 ' HB2' ' A' ' 30' ' ' ARG . 7.3 pt -111.34 -31.21 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.567 1.167 . . . . 0.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -162.48 143.47 10.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.505 HG23 HG12 ' A' ' 27' ' ' VAL . 61.5 mt -89.17 130.32 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.848 HD11 ' HG3' ' A' ' 28' ' ' LYS . 51.4 mt -84.3 -81.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.23 140.73 3.07 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.651 ' HB3' HG23 ' A' ' 25' ' ' THR . 7.3 ptt-85 -75.48 152.13 37.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -125.61 27.95 6.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.372 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -104.89 176.07 22.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -67.85 -61.15 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.7 m -102.19 -26.49 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.73 59.07 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.43 -37.37 10.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.09 105.38 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.651 HG23 ' HB3' ' A' ' 17' ' ' ARG . 3.1 m -117.29 105.72 12.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.351 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -91.39 143.03 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 49' ' ' VAL . 24.4 m -148.41 169.31 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HG3' HD11 ' A' ' 15' ' ' ILE . 2.7 mtmt -102.03 134.17 45.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 11' ' ' VAL . 25.0 m -127.82 144.59 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.544 ' HB2' HG21 ' A' ' 12' ' ' ILE . 19.8 ttp180 -110.59 149.28 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.85 124.73 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 10' ' ' GLU . 31.3 mt -78.1 -28.72 48.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 1.8 tt0 -169.15 168.67 9.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.6 -107.02 0.42 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -32.61 4.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -106.91 -31.59 8.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER 32.91 88.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.388 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH1' ' OD2' ' A' ' 36' ' ' ASP . 1.8 ttt85 -61.93 128.59 36.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.763 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.62 135.03 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.23 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 24.0 pt -138.25 176.51 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.32 115.03 14.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.538 HH22 ' HB3' ' A' ' 9' ' ' ALA . 1.4 ptp85 -125.0 171.64 10.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.21 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.5 OUTLIER -99.93 142.01 31.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.4 t -141.75 160.54 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -93.61 142.3 27.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 25' ' ' THR . . . 96.67 179.76 34.73 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 2.19 6.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.999 HG11 HG11 ' A' ' 27' ' ' VAL . 40.3 t 60.18 149.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -143.66 128.53 18.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.1 p -49.84 146.43 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.5 -19.66 42.73 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' HB3' ' CG2' ' A' ' 11' ' ' VAL . 17.8 t70 -49.39 133.9 19.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.6 mt -111.49 141.77 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.9 122.16 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.698 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.6 mt -90.59 144.51 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -123.7 130.91 53.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.517 ' N ' HD13 ' A' ' 57' ' ' LEU . 10.0 mtt180 -56.72 -55.74 30.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 57' ' ' LEU . 7.3 tt0 -151.87 -71.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 3.7 t -152.25 -47.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 110.45 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 72.17 -62.8 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.271 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.96 106.57 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.5 174.64 9.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.14 171.96 11.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.17 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.6 -1.81 54.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 73.57 61.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.754 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -88.97 -148.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.378 1.049 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.754 ' N ' HG23 ' A' ' 67' ' ' ILE . 0.0 OUTLIER 179.78 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.65 163.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.016 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.65 167.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.8 -158.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -156.58 136.92 12.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.346 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.44 15.55 2.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.33 10.42 5.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.08 -134.38 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.621 ' C ' HG23 ' A' ' 56' ' ' ILE . 7.4 t80 -133.76 81.06 54.0 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.608 0.828 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 32' ' ' LEU . 18.3 Cg_endo -75.06 159.51 41.07 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.51 1.795 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.92 131.36 16.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -110.22 138.49 46.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.345 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG13 ' CG2' ' A' ' 27' ' ' VAL . 55.6 t -67.48 127.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' A' ' 30' ' ' ARG . 43.4 pt -97.57 -39.42 8.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -162.67 143.32 9.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.905 HD12 ' CG1' ' A' ' 49' ' ' VAL . 11.1 mm -78.92 143.98 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.7 mt -98.31 -74.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.94 165.23 25.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 155.96 40.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 0.725 . . . . 0.0 110.318 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.726 ' O ' HG22 ' A' ' 18' ' ' THR . 1.4 m -154.66 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' HB ' ' A' ' 20' ' ' THR . . . -157.4 33.57 0.54 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 19' ' ' GLY . 1.7 m 64.72 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.359 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -82.61 -39.19 22.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.51 44.11 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -77.53 -38.27 49.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.3 t -130.4 153.5 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -144.9 116.19 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.57 145.94 31.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' HG13 ' A' ' 11' ' ' VAL . 1.3 p -159.84 141.53 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -85.95 138.45 32.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.237 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 m -138.28 160.99 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HB2' HG21 ' A' ' 12' ' ' ILE . 4.7 ttm180 -125.19 148.16 48.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 mt -71.55 125.44 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.176 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -71.12 -39.54 71.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -169.87 168.59 8.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.44 -136.15 7.7 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.467 1.104 . . . . 0.0 111.069 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.23 -45.52 16.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 0.742 . . . . 0.0 110.321 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' LYS . 16.8 m-20 -86.42 -43.45 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' ASP . 18.8 ttpt 36.64 88.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.67 34.67 1.05 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.82 130.47 56.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.61 137.55 25.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.102 . . . . 0.0 109.369 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 27.3 pt -144.92 176.72 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mtm-85 -114.46 100.74 8.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' HD2' HD11 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -99.18 134.63 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -108.84 117.6 34.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 46' ' ' ARG . 92.0 t -114.45 167.72 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' N ' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -92.64 129.41 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 110.313 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.57 -178.94 37.02 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 142.72 27.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.454 1.765 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.905 ' CG1' HD12 ' A' ' 14' ' ' ILE . 0.4 OUTLIER -113.95 175.39 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.595 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -157.53 142.45 16.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.2 t -49.93 144.7 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.427 1.08 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.67 -27.97 11.23 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.09 123.67 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.75 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.8 mt -120.03 141.66 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 55' ' ' LEU . 4.4 pp -155.35 152.06 28.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.636 HG22 ' H ' ' A' ' 58' ' ' ARG . 1.7 mt -110.68 147.62 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 43' ' ' ARG . 10.9 mt -125.75 20.64 7.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.636 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER 69.12 -60.49 0.45 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.35 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -163.13 169.14 19.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.4 p -52.53 -31.54 36.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.389 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.67 -175.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.262 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 61.99 -88.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.77 116.01 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.29 56.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -71.93 -54.18 10.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 2.6 tt0 84.3 36.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.754 HG23 ' N ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER 36.69 -148.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.754 ' N ' HG23 ' A' ' 67' ' ' ILE . 34.6 tttp -175.05 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.8 m 60.54 169.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -154.07 137.71 16.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.48 0.181 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.18 -166.78 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -124.34 135.51 53.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.89 20.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.49 8.74 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 -138.21 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.3 m-85 -137.43 87.33 18.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.479 0.752 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 153.11 41.59 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.753 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' CA ' HD12 ' A' ' 32' ' ' LEU . . . -144.17 148.81 35.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -116.9 143.05 46.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.896 ' HA ' HG12 ' A' ' 29' ' ' VAL . 83.5 t -68.18 125.04 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.551 HG22 ' HE ' ' A' ' 30' ' ' ARG . 44.9 pt -100.0 -40.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.43 1.081 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -162.62 143.28 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.353 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 1.113 HG23 HG12 ' A' ' 27' ' ' VAL . 3.7 mt -97.17 136.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.456 HD11 ' HG3' ' A' ' 42' ' ' ARG . 9.5 mt -79.82 -66.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.199 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.22 137.27 2.26 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -67.31 154.89 40.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 18' ' ' THR . 6.0 t -146.54 115.65 6.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.397 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.5 68.54 2.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.537 1.148 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 t -113.08 -30.42 6.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 110.397 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.3 m -116.7 -42.37 2.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.377 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 178.06 58.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.411 1.07 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 47.16 54.57 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.5 t -76.84 146.11 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.5 m -125.82 102.11 7.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -87.37 120.78 29.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.113 HG12 HG23 ' A' ' 14' ' ' ILE . 16.2 m -131.69 152.55 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' ILE . 40.8 mttt -100.73 133.47 45.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.896 HG12 ' HA ' ' A' ' 11' ' ' VAL . 30.7 m -133.2 150.14 32.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HE ' HG22 ' A' ' 12' ' ' ILE . 1.2 ptt180 -111.5 150.46 29.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 mt -69.08 124.45 24.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 ' CA ' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -67.08 -42.64 84.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -163.05 168.77 20.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.23 -108.64 0.46 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.44 -31.88 5.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' LYS . 68.5 m-20 -103.21 -31.72 9.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' ASP . 63.8 tttt 39.14 89.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.365 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.49 -10.41 7.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -50.59 110.94 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 0.801 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 m -82.45 139.31 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 19.5 pt -145.36 173.63 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.256 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HG3' HD11 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -122.36 101.45 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.59 140.31 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -106.28 113.36 26.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.2 m -119.83 179.16 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -105.25 136.8 44.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.37 169.42 45.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 173.47 14.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.471 1.774 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.62 HG13 ' N ' ' A' ' 50' ' ' ARG . 0.5 OUTLIER -148.22 -166.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.62 ' N ' HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -158.01 141.4 15.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 47.8 t -50.35 117.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 -34.8 2.58 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.518 1.137 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.72 150.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.805 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.424 HG12 HD11 ' A' ' 32' ' ' LEU . 4.8 mt -134.72 146.32 30.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.95 144.72 17.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG23 ' C ' ' A' ' 7' ' ' TYR . 1.6 mt -106.69 153.2 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.745 HD23 HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER -141.76 151.48 42.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.694 ' O ' HG23 ' A' ' 60' ' ' THR . 0.2 OUTLIER -123.0 -66.61 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.71 -47.73 2.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.745 HG22 HD23 ' A' ' 57' ' ' LEU . 68.7 p 46.33 37.07 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -47.66 169.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.37 136.44 27.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -166.66 105.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.07 102.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -52.37 42.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 74.12 68.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 tp -94.62 163.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.29 37.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.247 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.93 100.36 12.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.939 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.6 173.3 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.266 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.579 0.228 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.11 -98.61 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.257 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -168.45 -140.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 110.323 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.475 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -152.44 20.61 0.64 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.02 99.65 8.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -87.3 -83.3 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.634 ' C ' HG23 ' A' ' 56' ' ' ILE . 20.0 m-85 -128.64 92.43 40.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 146.62 32.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.41 124.1 28.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.978 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.3 tt0 -99.84 126.92 46.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.591 ' HA ' HG12 ' A' ' 29' ' ' VAL . 70.5 t -52.67 131.29 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.602 HG21 ' HB2' ' A' ' 30' ' ' ARG . 1.6 pp -113.09 -35.22 2.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.133 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -162.65 143.29 9.81 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG23 HG12 ' A' ' 27' ' ' VAL . 32.8 mm -91.85 148.38 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.651 HD11 ' HG3' ' A' ' 28' ' ' LYS . 5.2 mp -93.48 -70.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.5 -163.92 36.69 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.118 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 -120.03 152.48 37.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -144.26 144.84 31.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.73 50.04 0.86 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.545 1.153 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -103.49 -17.81 15.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.427 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -120.48 -41.14 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.78 64.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.572 1.17 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.85 57.84 6.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 109.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 75.9 t -77.59 149.84 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.3 m -122.93 107.08 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -89.87 132.85 35.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 23.2 m -141.2 149.07 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.651 ' HG3' HD11 ' A' ' 15' ' ' ILE . 5.4 mttt -102.62 128.04 49.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 11' ' ' VAL . 20.0 m -127.14 145.36 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HB2' HG21 ' A' ' 12' ' ' ILE . 6.5 ttp180 -105.55 147.49 28.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.97 128.28 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.978 HD21 ' HB2' ' A' ' 10' ' ' GLU . 4.3 mm? -79.91 -34.3 39.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -164.85 175.03 9.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . 111.38 67.66 0.54 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.04 -76.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.333 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -50.48 -57.65 7.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' ASP . 0.4 OUTLIER 39.72 89.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 109.272 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.69 39.35 0.54 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -114.76 118.17 32.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 110.276 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 t -90.68 115.89 30.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.143 . . . . 0.0 109.247 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 38.9 pt -116.54 164.46 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -119.51 103.09 9.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -99.2 146.91 25.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -115.79 104.17 11.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 46' ' ' ARG . 78.6 t -122.59 164.54 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.487 ' N ' HG12 ' A' ' 45' ' ' VAL . 4.0 mmt85 -92.53 135.61 33.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.65 156.48 25.49 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -172.98 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.4 p -167.65 -166.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.427 1.08 . . . . 0.0 109.317 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.679 ' H ' HG22 ' A' ' 49' ' ' VAL . 81.2 mtt180 -156.05 136.34 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.9 t -41.38 143.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.06 -23.72 34.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.599 1.187 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -48.28 140.73 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.1 mm -115.85 126.16 73.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.8 122.83 22.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.421 1.075 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.634 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.1 mt -92.91 146.11 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.753 ' N ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -139.97 131.15 26.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.382 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -61.63 -64.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.26 -175.92 3.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' ARG . 1.2 m -70.97 -30.02 66.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.413 1.071 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.8 mt-10 64.56 -79.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER 82.39 106.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.15 . . . . 0.0 110.261 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.38 -179.65 4.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.19 103.63 7.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.503 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -56.44 -53.23 59.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.788 ' C ' HD13 ' A' ' 67' ' ' ILE . 10.5 pt-20 46.37 30.77 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.788 HD13 ' C ' ' A' ' 66' ' ' GLU . 0.2 OUTLIER 41.96 -162.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -172.75 47.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -68.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 110.026 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 66.5 142.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.53 0.205 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 3' ' ' GLU . . . -89.22 -88.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 2' ' ' ALA . 0.6 OUTLIER -35.25 112.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.58 15.74 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.52 9.57 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.32 143.19 5.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.75 ' C ' HG23 ' A' ' 56' ' ' ILE . 48.9 m-85 -78.82 113.9 39.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.756 . . . . 0.0 111.032 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.0 175.78 10.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -165.3 141.39 5.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.692 ' HG3' HD11 ' A' ' 54' ' ' ILE . 1.3 tm-20 -116.28 127.64 54.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.733 HG22 HG12 ' A' ' 29' ' ' VAL . 53.2 t -61.4 130.77 25.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pt -109.12 -34.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -162.85 144.01 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.231 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.932 HG23 HG12 ' A' ' 27' ' ' VAL . 2.7 mp -95.39 118.63 42.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.674 HD11 ' HG3' ' A' ' 28' ' ' LYS . 71.7 mt -62.83 -60.23 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.39 -178.48 37.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.15 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -71.41 144.11 49.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.507 0.769 . . . . 0.0 110.312 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 18' ' ' THR . 24.1 m -139.11 53.66 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.49 41.42 2.16 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 t -40.77 -46.3 2.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 0.798 . . . . 0.0 110.424 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -112.09 -28.05 8.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 110.434 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.38 -131.29 3.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.558 1.161 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -139.76 47.09 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.774 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -74.84 156.92 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 m -130.3 108.69 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.408 ' HG3' ' ND2' ' A' ' 44' ' ' ASN . 0.1 OUTLIER -86.69 130.14 34.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.932 HG12 HG23 ' A' ' 14' ' ' ILE . 33.3 m -142.96 153.94 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 15' ' ' ILE . 11.2 mttt -93.72 131.7 38.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.733 HG12 HG22 ' A' ' 11' ' ' VAL . 5.5 m -130.58 138.42 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 39' ' ' ARG . 12.2 ttm180 -101.29 148.21 25.39 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -70.53 123.26 24.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.44 1.088 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 54' ' ' ILE . 1.4 mt -75.46 -34.17 60.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HA ' ' CB ' ' A' ' 37' ' ' LYS . 2.3 tt0 -168.87 177.69 4.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 139.81 -105.11 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.505 1.128 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -33.93 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.498 ' O ' ' C ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -102.99 -31.34 10.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 9.4 ptmt 32.95 88.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.96 41.1 0.27 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 1.8 ttt180 -117.26 118.3 31.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 0.755 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -87.57 121.48 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 16.9 pt -127.04 -179.99 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 103.88 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.56 143.23 30.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER -106.59 115.46 30.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.08 147.48 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.24 145.54 32.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.9 171.02 34.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 150.3 37.85 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 50' ' ' ARG . 2.3 t -126.82 165.02 26.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.52 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 13.4 ttm180 -155.86 140.57 17.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 62.5 t -44.97 134.2 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.74 -30.47 9.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.18 131.29 2.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.692 HD11 ' HG3' ' A' ' 10' ' ' GLU . 35.4 mm -115.0 129.09 71.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 8' ' ' PRO . 2.4 mp -144.03 -179.62 6.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.75 HG23 ' C ' ' A' ' 7' ' ' TYR . 2.2 mt -141.85 144.98 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.8 139.09 50.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -72.26 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.07 162.73 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.7 p -62.08 -18.15 59.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -43.93 -37.48 2.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER 62.81 175.4 0.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 62' ' ' ARG . 8.4 pt-20 38.15 73.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 65' ' ' ARG . . . -144.13 158.65 43.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 64' ' ' ALA . 0.8 OUTLIER 77.18 -0.41 2.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -115.15 33.37 5.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.423 HG23 ' H ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -40.19 -37.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 0.1 OUTLIER 177.92 -34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.253 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.38 -62.89 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -161.63 -63.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.319 -180.0 . . . . . . . . 0 0 . 1 stop_ save_